4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
type: datablock
datablock name: EZ1
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has pdbx chem comp audit category: pdbx chem comp auditCategory
has pdbx chem comp descriptor category: pdbx chem comp descriptorCategory
has pdbx chem comp identifier category: pdbx chem comp identifierCategory

EZ1
type: chem comp
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
chem comp.id: EZ1
chem comp.formula: C9 H11 N O2 S Se
chem comp.formula weight: 276.214
chem comp.name: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
chem comp.pdbx ambiguous flag: N
chem comp.pdbx formal charge: 0
chem comp.pdbx ideal coordinates details: Corina
chem comp.pdbx ideal coordinates missing flag: N
chem comp.pdbx initial date: 2018-02-13
chem comp.pdbx model coordinates db code: 6CEH
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2018-05-18
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: EZ1
chem comp.type: non-polymer

C7,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: -3.058
chem comp atom.model cartn y: 4.561
chem comp atom.model cartn z: 85.667
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C7
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.460
chem comp atom.pdbx model cartn y ideal: -0.674
chem comp atom.pdbx model cartn z ideal: -1.016
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C13,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.907
chem comp atom.model cartn y: 3.505
chem comp atom.model cartn z: 85.644
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C13
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.395
chem comp atom.pdbx model cartn y ideal: 0.361
chem comp atom.pdbx model cartn z ideal: 1.143
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.600
chem comp atom.model cartn y: 5.572
chem comp atom.model cartn z: 84.888
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C6
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.092
chem comp atom.pdbx model cartn y ideal: -0.869
chem comp atom.pdbx model cartn z ideal: -0.963
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C14,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.462
chem comp atom.model cartn y: 4.534
chem comp atom.model cartn z: 84.838
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C14
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.028
chem comp atom.pdbx model cartn y ideal: 0.161
chem comp atom.pdbx model cartn z ideal: 1.198
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C8,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.237
chem comp atom.model cartn y: 3.492
chem comp atom.model cartn z: 86.037
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C8
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.112
chem comp atom.pdbx model cartn y ideal: -0.062
chem comp atom.pdbx model cartn z ideal: 0.038
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C5,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: -1.307
chem comp atom.model cartn y: 5.560
chem comp atom.model cartn z: 84.445
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C5
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.623
chem comp atom.pdbx model cartn y ideal: -0.451
chem comp atom.pdbx model cartn z ideal: 0.144
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C1,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.735
chem comp atom.model cartn y: 9.607
chem comp atom.model cartn z: 84.864
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C1
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.401
chem comp atom.pdbx model cartn y ideal: 1.888
chem comp atom.pdbx model cartn z ideal: -0.075
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C2,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.970
chem comp atom.model cartn y: 8.518
chem comp atom.model cartn z: 85.041
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.722
chem comp atom.pdbx model cartn y ideal: 0.910
chem comp atom.pdbx model cartn z ideal: -0.620
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C3,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.005
chem comp atom.model cartn y: 7.349
chem comp atom.model cartn z: 84.061
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C3
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.215
chem comp atom.pdbx model cartn y ideal: 0.928
chem comp atom.pdbx model cartn z ideal: -0.585
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N11,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: N11
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.323
chem comp atom.model cartn y: 0.810
chem comp atom.model cartn z: 86.389
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N11
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.121
chem comp atom.pdbx model cartn y ideal: 1.657
chem comp atom.pdbx model cartn z ideal: -0.726
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

O10,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: O10
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.265
chem comp atom.model cartn y: 2.389
chem comp atom.model cartn z: 88.361
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O10
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.295
chem comp atom.pdbx model cartn y ideal: 0.290
chem comp atom.pdbx model cartn z ideal: 1.321
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O12,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: O12
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.305
chem comp atom.model cartn y: 2.318
chem comp atom.model cartn z: 86.960
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O12
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.362
chem comp atom.pdbx model cartn y ideal: -0.790
chem comp atom.pdbx model cartn z ideal: -0.931
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

S9,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: S9
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: S1
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.860
chem comp atom.model cartn y: 2.185
chem comp atom.model cartn z: 87.072
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: S9
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.856
chem comp atom.pdbx model cartn y ideal: 0.180
chem comp atom.pdbx model cartn z ideal: -0.025
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S

SE4,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: SE4
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: SE1
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.730
chem comp atom.model cartn y: 6.966
chem comp atom.model cartn z: 83.270
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: SE4
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.561
chem comp atom.pdbx model cartn y ideal: -0.735
chem comp atom.pdbx model cartn z ideal: 0.222
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: SE

H1,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.082
chem comp atom.model cartn y: 4.582
chem comp atom.model cartn z: 86.010
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H1
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.019
chem comp atom.pdbx model cartn y ideal: -1.004
chem comp atom.pdbx model cartn z ideal: -1.878
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.232
chem comp atom.model cartn y: 2.725
chem comp atom.model cartn z: 85.963
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H2
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.905
chem comp atom.pdbx model cartn y ideal: 0.839
chem comp atom.pdbx model cartn z ideal: 1.966
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: -3.256
chem comp atom.model cartn y: 6.386
chem comp atom.model cartn z: 84.618
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H3
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.417
chem comp atom.pdbx model cartn y ideal: -1.347
chem comp atom.pdbx model cartn z ideal: -1.786
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.566
chem comp atom.model cartn y: 4.540
chem comp atom.model cartn z: 84.507
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.531
chem comp atom.pdbx model cartn y ideal: 0.491
chem comp atom.pdbx model cartn z ideal: 2.060
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.395
chem comp atom.model cartn y: 9.670
chem comp atom.model cartn z: 84.012
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.882
chem comp atom.pdbx model cartn y ideal: 2.707
chem comp atom.pdbx model cartn z ideal: 0.401
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.690
chem comp atom.model cartn y: 10.420
chem comp atom.model cartn z: 85.574
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H6
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.481
chem comp atom.pdbx model cartn y ideal: 1.875
chem comp atom.pdbx model cartn z ideal: -0.100
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.314
chem comp atom.model cartn y: 8.468
chem comp atom.model cartn z: 85.898
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H7
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.241
chem comp atom.pdbx model cartn y ideal: 0.091
chem comp atom.pdbx model cartn z ideal: -1.095
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.351
chem comp atom.model cartn y: 6.453
chem comp atom.model cartn z: 84.597
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H8
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.829
chem comp atom.pdbx model cartn y ideal: 1.015
chem comp atom.pdbx model cartn z ideal: -1.600
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.713
chem comp atom.model cartn y: 7.590
chem comp atom.model cartn z: 83.254
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H9
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.876
chem comp atom.pdbx model cartn y ideal: 1.777
chem comp atom.pdbx model cartn z ideal: 0.008
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.639
chem comp atom.model cartn y: 0.026
chem comp atom.model cartn z: 86.924
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H10
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.369
chem comp atom.pdbx model cartn y ideal: 2.201
chem comp atom.pdbx model cartn z ideal: -1.009
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,EZ1
type: chem comp atom
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: EZ1
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.677
chem comp atom.model cartn y: 0.741
chem comp atom.model cartn z: 85.456
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H11
chem comp atom.pdbx component comp id: EZ1
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.027
chem comp atom.pdbx model cartn y ideal: 1.978
chem comp atom.pdbx model cartn z ideal: -0.853
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

SE4,C3,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: SE4
chem comp bond.atom id 2: C3
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

SE4,C5,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: SE4
chem comp bond.atom id 2: C5
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,C2,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C2
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5,C14,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C14
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C5,C6,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,C13,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C13
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,C2,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C6,C7,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C7
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C13,C8,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C8
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C7,C8,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C8
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C8,S9,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: S9
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N11,S9,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: N11
chem comp bond.atom id 2: S9
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O12,S9,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: O12
chem comp bond.atom id 2: S9
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

S9,O10,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: S9
chem comp bond.atom id 2: O10
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C7,H1,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H1
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,H2,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H2
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6,H3,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H3
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,H4,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H4
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H5,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H5
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H6,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H6
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,H7,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H7
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H8,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H8
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H9,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H9
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N11,H10,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: N11
chem comp bond.atom id 2: H10
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N11,H11,EZ1
type: chem comp bond
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/EZ1/chem_comp_atom/,
chem comp bond.atom id 1: N11
chem comp bond.atom id 2: H11
chem comp bond.comp id: EZ1
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,EZ1,2018-02-13
type: pdbx chem comp audit
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: EZ1
pdbx chem comp audit.date: 2018-02-13
pdbx chem comp audit.processing site: RCSB

Initial release,EZ1,2018-05-23
type: pdbx chem comp audit
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: EZ1
pdbx chem comp audit.date: 2018-05-23
pdbx chem comp audit.processing site: RCSB

EZ1,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: EZ1
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 12.01
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: c1c(ccc(c1)[Se]C[C@H]=C)S(N)(=O)=O

EZ1,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: EZ1
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12)

EZ1,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: EZ1
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: KMBXWUNECGFGKU-UHFFFAOYSA-N

EZ1,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: EZ1
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: N[S](=O)(=O)c1ccc([Se]CC=C)cc1

EZ1,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: EZ1
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: N[S](=O)(=O)c1ccc([Se]CC=C)cc1

EZ1,OpenEye OEToolkits,2.0.6,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: EZ1
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.6
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: C=CC[Se]c1ccc(cc1)S(=O)(=O)N

EZ1,OpenEye OEToolkits,2.0.6,SMILES
type: pdbx chem comp descriptor
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: EZ1
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.6
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: C=CC[Se]c1ccc(cc1)S(=O)(=O)N

EZ1,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: EZ1
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 12.01
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide

EZ1,OpenEye OEToolkits,2.0.6,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: EZ1
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 2.0.6
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 4-prop-2-enylselanylbenzenesulfonamide