![9ZM 9ZM](https://data.pdbj.org/pdbjplus/data/cc/svg/9ZM.svg) | 9ZM | Name: | methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate | Formula: | C31 H26 Cl F N10 O4 | SMILES: | n6cn(c1c(cc(Cl)cc1)[C@H]=[C@H]C(NC4c2nc(cn2)c3c(cc(cc3)NC(OC)=O)NC(CCc5nc(C4)ccc5F)=O)=O)nn6 | InChi: | InChI=1S/C31H26ClFN10O4/c1-47-31(46)37-20-4-6-21-24(13-20)38-29(45)11-8-23-22(33)7-5-19(36-23)14-25(30-34-15-26(21)40-30)39-28(44)10-2-17-12-18(32)3-9-27(17)43-16-35-41-42-43/h2-7,9-10,12-13,15-16,25H,8,11,14H2,1H3,(H,34,40)(H,37,46)(H,38,45)(H,39,44)/b10-2+/t25-/m0/s1 | Definition date: | 2017-06-29 | Last modified: | 2017-07-28 | Release date: | 2017-08-02 | Identifier: | methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate |
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![7YS 7YS](https://data.pdbj.org/pdbjplus/data/cc/svg/7YS.svg) | 7YS | Name: | (10R)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1H-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one | Formula: | C21 H22 Cl F N6 O3 | SMILES: | n2cc3c1c(nn(CCO)c1CN(C)C(c4c(C(Oc(c2N)n3)C)c(c(cc4)F)Cl)=O)C | InChi: | InChI=1S/C21H22ClFN6O3/c1-10-16-14-8-25-19(24)20(26-14)32-11(2)17-12(4-5-13(23)18(17)22)21(31)28(3)9-15(16)29(27-10)6-7-30/h4-5,8,11,30H,6-7,9H2,1-3H3,(H2,24,25)/t11-/m1/s1 | Definition date: | 2016-12-13 | Last modified: | 2017-07-21 | Release date: | 2017-07-26 | Identifier: | (10R)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1H-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one |
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![9EY 9EY](https://data.pdbj.org/pdbjplus/data/cc/svg/9EY.svg) | 9EY | Name: | methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | Formula: | C27 H26 Cl N9 O4 | SMILES: | [C@H](=CC(=O)NC2CCCCC(Nc1c(ccc(NC(OC)=O)c1)c3cnc2n3)=O)c4cc(Cl)ccc4n5nnnc5 | InChi: | InChI=1S/C27H26ClN9O4/c1-41-27(40)31-18-8-9-19-21(13-18)33-24(38)5-3-2-4-20(26-29-14-22(19)34-26)32-25(39)11-6-16-12-17(28)7-10-23(16)37-15-30-35-36-37/h6-15,20H,2-5H2,1H3,(H,29,34)(H,31,40)(H,32,39)(H,33,38)/b11-6+/t20-/m0/s1 | Definition date: | 2017-05-04 | Last modified: | 2017-07-07 | Release date: | 2017-07-12 | Identifier: | methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate |
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![9F1 9F1](https://data.pdbj.org/pdbjplus/data/cc/svg/9F1.svg) | 9F1 | Name: | methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | Formula: | C27 H26 Cl F2 N5 O4 | SMILES: | n2c3c1ccc(NC(OC)=O)cc1NC(CC(C)C=CCC(c2nc3Cl)NC(c4c(F)cc(cc4F)C)=O)=O | InChi: | InChI=1S/C27H26ClF2N5O4/c1-13-5-4-6-19(33-26(37)22-17(29)9-14(2)10-18(22)30)25-34-23(24(28)35-25)16-8-7-15(31-27(38)39-3)12-20(16)32-21(36)11-13/h4-5,7-10,12-13,19H,6,11H2,1-3H3,(H,31,38)(H,32,36)(H,33,37)(H,34,35)/b5-4+/t13-,19-/m0/s1 | Definition date: | 2017-05-04 | Last modified: | 2017-07-07 | Release date: | 2017-07-12 | Identifier: | methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate |
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![9F7 9F7](https://data.pdbj.org/pdbjplus/data/cc/svg/9F7.svg) | 9F7 | Name: | methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | Formula: | C29 H30 Cl N9 O4 | SMILES: | c1c(cc2c(c1)c5cnc(C(CCCC(C(N2)=O)CC)NC(=O)[C@H]=[C@H]c3cc(ccc3n4nnnc4)Cl)n5)NC(OC)=O | InChi: | InChI=1S/C29H30ClN9O4/c1-3-17-5-4-6-22(34-26(40)12-7-18-13-19(30)8-11-25(18)39-16-32-37-38-39)27-31-15-24(35-27)21-10-9-20(33-29(42)43-2)14-23(21)36-28(17)41/h7-17,22H,3-6H2,1-2H3,(H,31,35)(H,33,42)(H,34,40)(H,36,41)/b12-7+/t17-,22+/m1/s1 | Definition date: | 2017-05-04 | Last modified: | 2017-07-07 | Release date: | 2017-07-12 | Identifier: | methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate |
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![9FA 9FA](https://data.pdbj.org/pdbjplus/data/cc/svg/9FA.svg) | 9FA | Name: | methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | Formula: | C29 H28 Cl N9 O4 | SMILES: | [C@H](=CC(=O)NC2c3nc(c1ccc(NC(OC)=O)cc1NC(CC(C)C=CC2)=O)cn3)c4cc(Cl)ccc4n5nnnc5 | InChi: | InChI=1S/C29H28ClN9O4/c1-17-4-3-5-22(34-26(40)11-6-18-13-19(30)7-10-25(18)39-16-32-37-38-39)28-31-15-24(36-28)21-9-8-20(33-29(42)43-2)14-23(21)35-27(41)12-17/h3-4,6-11,13-17,22H,5,12H2,1-2H3,(H,31,36)(H,33,42)(H,34,40)(H,35,41)/b4-3+,11-6+/t17-,22-/m0/s1 | Definition date: | 2017-05-04 | Last modified: | 2017-07-07 | Release date: | 2017-07-12 | Identifier: | methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate |
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![9FD 9FD](https://data.pdbj.org/pdbjplus/data/cc/svg/9FD.svg) | 9FD | Name: | methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | Formula: | C29 H30 Cl N9 O4 | SMILES: | [C@H](=CC(=O)NC2c3nc(c1ccc(NC(OC)=O)cc1NC(CC(CCC2)C)=O)cn3)c4cc(Cl)ccc4n5nnnc5 | InChi: | InChI=1S/C29H30ClN9O4/c1-17-4-3-5-22(34-26(40)11-6-18-13-19(30)7-10-25(18)39-16-32-37-38-39)28-31-15-24(36-28)21-9-8-20(33-29(42)43-2)14-23(21)35-27(41)12-17/h6-11,13-17,22H,3-5,12H2,1-2H3,(H,31,36)(H,33,42)(H,34,40)(H,35,41)/b11-6+/t17-,22-/m0/s1 | Definition date: | 2017-05-04 | Last modified: | 2017-07-07 | Release date: | 2017-07-12 | Identifier: | methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate |
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![9L1 9L1](https://data.pdbj.org/pdbjplus/data/cc/svg/9L1.svg) | 9L1 | Name: | 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid | Formula: | C32 H45 N O6 | SMILES: | c1c(C(O)=O)cc(C(O)=O)cc1NC(CCC(C4CCC5C2C(C3(C)C(CC2)CC(CC3)O)CCC45C)C)=O | InChi: | InChI=1S/C32H45NO6/c1-18(4-9-28(35)33-22-15-19(29(36)37)14-20(16-22)30(38)39)25-7-8-26-24-6-5-21-17-23(34)10-12-31(21,2)27(24)11-13-32(25,26)3/h14-16,18,21,23-27,34H,4-13,17H2,1-3H3,(H,33,35)(H,36,37)(H,38,39)/t18-,21-,23-,24+,25-,26+,27+,31+,32-/m1/s1 | Definition date: | 2017-05-19 | Last modified: | 2017-06-30 | Release date: | 2017-07-05 | Identifier: | 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid |
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![9L7 9L7](https://data.pdbj.org/pdbjplus/data/cc/svg/9L7.svg) | 9L7 | Name: | (2S)-2-{2-[4-(benzenecarbonyl)phenyl]-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide | Formula: | C34 H37 N3 O2 | SMILES: | c6c1c(n(c(n1)c2ccc(cc2)C(=O)c3ccccc3)C(C(NC4CCCCC4)=O)C5CCCCC5)ccc6 | InChi: | InChI=1S/C34H37N3O2/c38-32(25-14-6-2-7-15-25)26-20-22-27(23-21-26)33-36-29-18-10-11-19-30(29)37(33)31(24-12-4-1-5-13-24)34(39)35-28-16-8-3-9-17-28/h2,6-7,10-11,14-15,18-24,28,31H,1,3-5,8-9,12-13,16-17H2,(H,35,39)/t31-/m0/s1 | Definition date: | 2017-05-19 | Last modified: | 2017-06-30 | Release date: | 2017-07-05 | Identifier: | (2S)-2-{2-[4-(benzenecarbonyl)phenyl]-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide |
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![9M1 9M1](https://data.pdbj.org/pdbjplus/data/cc/svg/9M1.svg) | 9M1 | Name: | ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate | Formula: | C24 H24 F2 N2 O3 | SMILES: | N3(CC(C(OCC)=O)c2c(c1c(cccc1)n2)C(C)(C3)C)C(c4ccc(c(F)c4)F)=O | InChi: | InChI=1S/C24H24F2N2O3/c1-4-31-23(30)16-12-28(22(29)14-9-10-17(25)18(26)11-14)13-24(2,3)20-15-7-5-6-8-19(15)27-21(16)20/h5-11,16,27H,4,12-13H2,1-3H3/t16-/m0/s1 | Definition date: | 2017-05-19 | Last modified: | 2017-06-30 | Release date: | 2017-07-05 | Identifier: | ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate |
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![7DC 7DC](https://data.pdbj.org/pdbjplus/data/cc/svg/7DC.svg) | 7DC | Name: | 4-[(~{E})-[4-[[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide | Formula: | C34 H49 N11 O7 | SMILES: | CC(C)[CH](NC(=O)c1ccc(cc1)N=Nc2ccc(CNC(=O)[CH](C)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](C)NC(=O)[CH](N)CO)cc2)C=O | InChi: | InChI=1S/C34H49N11O7/c1-19(2)28(18-47)43-31(50)23-9-13-25(14-10-23)45-44-24-11-7-22(8-12-24)16-39-29(48)20(3)41-33(52)27(6-5-15-38-34(36)37)42-30(49)21(4)40-32(51)26(35)17-46/h7-14,18-21,26-28,46H,5-6,15-17,35H2,1-4H3,(H,39,48)(H,40,51)(H,41,52)(H,42,49)(H,43,50)(H4,36,37,38)/b45-44+/t20-,21-,26-,27-,28+/m0/s1 | Definition date: | 2016-10-12 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | 4-[(~{E})-[4-[[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide |
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![7DU 7DU](https://data.pdbj.org/pdbjplus/data/cc/svg/7DU.svg) | 7DU | Name: | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{N}-[(2~{S})-1-[[4-[(~{E})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide | Formula: | C29 H42 N10 O6 | SMILES: | C[CH](NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](C)NC(=O)[CH](N)CO)C(=O)NCc1ccc(cc1)N=Nc2ccc(CO)cc2 | InChi: | InChI=1S/C29H42N10O6/c1-17(25(42)34-14-19-5-9-21(10-6-19)38-39-22-11-7-20(15-40)8-12-22)36-28(45)24(4-3-13-33-29(31)32)37-26(43)18(2)35-27(44)23(30)16-41/h5-12,17-18,23-24,40-41H,3-4,13-16,30H2,1-2H3,(H,34,42)(H,35,44)(H,36,45)(H,37,43)(H4,31,32,33)/b39-38+/t17-,18-,23-,24-/m0/s1 | Definition date: | 2016-10-12 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{N}-[(2~{S})-1-[[4-[(~{E})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide |
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![8UY 8UY](https://data.pdbj.org/pdbjplus/data/cc/svg/8UY.svg) | 8UY | Name: | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile | Formula: | C13 H8 N4 | SMILES: | N#Cc3ccc(c2cccc1ncnn12)cc3 | InChi: | InChI=1S/C13H8N4/c14-8-10-4-6-11(7-5-10)12-2-1-3-13-15-9-16-17(12)13/h1-7,9H | Definition date: | 2017-03-06 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile |
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![6RJ 6RJ](https://data.pdbj.org/pdbjplus/data/cc/svg/6RJ.svg) | 6RJ | Name: | 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide | Formula: | C19 H12 Cl N5 O3 S2 | SMILES: | Clc1ccc(Oc2ccc(cc2C#N)[S](=O)(=O)Nc3sccn3)c(c1)c4c[nH]nc4 | InChi: | InChI=1S/C19H12ClN5O3S2/c20-14-1-3-18(16(8-14)13-10-23-24-11-13)28-17-4-2-15(7-12(17)9-21)30(26,27)25-19-22-5-6-29-19/h1-8,10-11H,(H,22,25)(H,23,24) | Definition date: | 2016-06-03 | Last modified: | 2017-06-02 | Release date: | 2017-06-07 | Identifier: | 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide |
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![8FS 8FS](https://data.pdbj.org/pdbjplus/data/cc/svg/8FS.svg) | 8FS | Name: | 1-ethynyl-2,4-difluorobenzene | Formula: | C8 H4 F2 | SMILES: | Fc1cc(F)ccc1C#C | InChi: | InChI=1S/C8H4F2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H | Definition date: | 2017-02-02 | Last modified: | 2017-06-02 | Release date: | 2017-06-07 | Identifier: | 1-ethynyl-2,4-difluorobenzene |
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![8MY 8MY](https://data.pdbj.org/pdbjplus/data/cc/svg/8MY.svg) | 8MY | Name: | 4-({4-amino-6-[3-(hydroxymethyl)-1H-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile | Formula: | C15 H13 N7 O | SMILES: | c3(nc(Nc1ccc(C#N)cc1)nc(n2ccc(CO)n2)c3)N | InChi: | InChI=1S/C15H13N7O/c16-8-10-1-3-11(4-2-10)18-15-19-13(17)7-14(20-15)22-6-5-12(9-23)21-22/h1-7,23H,9H2,(H3,17,18,19,20) | Definition date: | 2017-02-20 | Last modified: | 2017-06-02 | Release date: | 2017-06-07 | Identifier: | 4-({4-amino-6-[3-(hydroxymethyl)-1H-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile |
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![83D 83D](https://data.pdbj.org/pdbjplus/data/cc/svg/83D.svg) | 83D | Name: | 5-[(Z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol | Formula: | C14 H11 F O3 | SMILES: | c1c(cc(cc1O)/C=C(/c2ccc(cc2)O)F)O | InChi: | InChI=1S/C14H11FO3/c15-14(10-1-3-11(16)4-2-10)7-9-5-12(17)8-13(18)6-9/h1-8,16-18H/b14-7- | Definition date: | 2016-12-20 | Last modified: | 2017-05-26 | Release date: | 2017-05-31 | Identifier: | 5-[(Z)-2-fluoro-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
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![WOT WOT](https://data.pdbj.org/pdbjplus/data/cc/svg/WOT.svg) | WOT | Name: | phenylazanium | Formula: | C6 H8 N | SMILES: | [NH3+]c1ccccc1 | InChi: | InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/p+1 | Definition date: | 2016-12-22 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | phenylazanium |
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![97A 97A](https://data.pdbj.org/pdbjplus/data/cc/svg/97A.svg) | 97A | Name: | 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile | Formula: | C14 H13 F3 N2 O2 | SMILES: | C1(CC(N(C1CC)c2ccc(C#N)c(C(F)(F)F)c2)=O)O | InChi: | InChI=1S/C14H13F3N2O2/c1-2-11-12(20)6-13(21)19(11)9-4-3-8(7-18)10(5-9)14(15,16)17/h3-5,11-12,20H,2,6H2,1H3/t11-,12-/m0/s1 | Definition date: | 2017-04-05 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile |
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![97Y 97Y](https://data.pdbj.org/pdbjplus/data/cc/svg/97Y.svg) | 97Y | Name: | N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine | Formula: | C26 H28 F3 N5 O3 | SMILES: | C(Nc1cnc(cc1)n2cc(C(F)(F)F)nc2)(C3CC(C)(C)C3)c4ccc(cc4)C(=O)NCCC(O)=O | InChi: | InChI=1S/C26H28F3N5O3/c1-25(2)11-18(12-25)23(16-3-5-17(6-4-16)24(37)30-10-9-22(35)36)33-19-7-8-21(31-13-19)34-14-20(32-15-34)26(27,28)29/h3-8,13-15,18,23,33H,9-12H2,1-2H3,(H,30,37)(H,35,36)/t23-/m0/s1 | Definition date: | 2017-04-06 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine |
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![6K8 6K8](https://data.pdbj.org/pdbjplus/data/cc/svg/6K8.svg) | 6K8 | Name: | N-(benzenecarbonyl)glycyl-L-arginine | Formula: | C15 H21 N5 O4 | SMILES: | N/C(NCCCC(NC(=O)CNC(c1ccccc1)=O)C(O)=O)=N | InChi: | InChI=1S/C15H21N5O4/c16-15(17)18-8-4-7-11(14(23)24)20-12(21)9-19-13(22)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,22)(H,20,21)(H,23,24)(H4,16,17,18)/t11-/m0/s1 | Definition date: | 2016-04-21 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | N-(benzenecarbonyl)glycyl-L-arginine |
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![7KK 7KK](https://data.pdbj.org/pdbjplus/data/cc/svg/7KK.svg) | 7KK | Name: | 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide | Formula: | C21 H11 Br Cl2 F2 N2 O3 S | SMILES: | c2(c(c(cc(NS(c1c(cc(c(c1)F)Br)F)(=O)=O)c2)Cl)Oc4cc3ccccc3nc4)Cl | InChi: | InChI=1S/C21H11BrCl2F2N2O3S/c22-14-8-18(26)20(9-17(14)25)32(29,30)28-12-6-15(23)21(16(24)7-12)31-13-5-11-3-1-2-4-19(11)27-10-13/h1-10,28H | Definition date: | 2016-11-04 | Last modified: | 2017-05-19 | Release date: | 2017-05-24 | Identifier: | 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide |
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![6JY 6JY](https://data.pdbj.org/pdbjplus/data/cc/svg/6JY.svg) | 6JY | Name: | N~2~-(benzenecarbonyl)-L-arginine | Formula: | C13 H18 N4 O3 | SMILES: | N/C(NCCCC(NC(=O)c1ccccc1)C(=O)O)=N | InChi: | InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m0/s1 | Definition date: | 2016-04-20 | Last modified: | 2017-05-05 | Release date: | 2017-05-10 | Identifier: | N~2~-(benzenecarbonyl)-L-arginine |
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![8F2 8F2](https://data.pdbj.org/pdbjplus/data/cc/svg/8F2.svg) | 8F2 | Name: | (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide | Formula: | C22 H20 N2 O5 S | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCc3cc(O)c(O)cc3[CH]2c4ccccc4 | InChi: | InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m1/s1 | Definition date: | 2017-02-02 | Last modified: | 2017-05-05 | Release date: | 2017-05-10 | Identifier: | 4-[[(1~{R})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide |
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![8F3 8F3](https://data.pdbj.org/pdbjplus/data/cc/svg/8F3.svg) | 8F3 | Name: | 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide | Formula: | C22 H20 N2 O5 S | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCc3cc(O)c(O)cc3[CH]2c4ccccc4 | InChi: | InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1 | Definition date: | 2017-02-02 | Last modified: | 2017-05-05 | Release date: | 2017-05-10 | Identifier: | 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide |
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