![NQJ NQJ](https://data.pdbj.org/pdbjplus/data/cc/svg/NQJ.svg) | NQJ | Name: | methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate | Formula: | C23 H20 Cl F3 N2 O5 S2 | SMILES: | COC(C(Cc1ccccc1)NC(c3cc(C)c(S(Nc2c(ccc(c2)C(F)(F)F)Cl)(=O)=O)s3)=O)=O | InChi: | InChI=1S/C23H20ClF3N2O5S2/c1-13-10-19(20(30)28-18(21(31)34-2)11-14-6-4-3-5-7-14)35-22(13)36(32,33)29-17-12-15(23(25,26)27)8-9-16(17)24/h3-10,12,18,29H,11H2,1-2H3,(H,28,30)/t18-/m1/s1 | Definition date: | 2019-05-24 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate |
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![ML7 ML7](https://data.pdbj.org/pdbjplus/data/cc/svg/ML7.svg) | ML7 | Name: | N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide | Formula: | C19 H16 N2 O3 S | SMILES: | C(c1cccc(c1)c2ccccc2)(NNS(=O)(c3ccccc3)=O)=O | InChi: | InChI=1S/C19H16N2O3S/c22-19(20-21-25(23,24)18-12-5-2-6-13-18)17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1-14,21H,(H,20,22) | Definition date: | 2019-04-10 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide |
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![MLS MLS](https://data.pdbj.org/pdbjplus/data/cc/svg/MLS.svg) | MLS | Name: | 2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide | Formula: | C18 H15 F N2 O3 S | SMILES: | c2(cc1ccccc1cc2)S(NNC(c3c(c(C)ccc3)F)=O)(=O)=O | InChi: | InChI=1S/C18H15FN2O3S/c1-12-5-4-8-16(17(12)19)18(22)20-21-25(23,24)15-10-9-13-6-2-3-7-14(13)11-15/h2-11,21H,1H3,(H,20,22) | Definition date: | 2019-04-10 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | 2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide |
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![MLV MLV](https://data.pdbj.org/pdbjplus/data/cc/svg/MLV.svg) | MLV | Name: | 2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide | Formula: | C19 H15 F N2 O3 S | SMILES: | C(c1cccc(c1F)c2ccccc2)(NNS(=O)(c3ccccc3)=O)=O | InChi: | InChI=1S/C19H15FN2O3S/c20-18-16(14-8-3-1-4-9-14)12-7-13-17(18)19(23)21-22-26(24,25)15-10-5-2-6-11-15/h1-13,22H,(H,21,23) | Definition date: | 2019-04-10 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | 2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide |
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![MNJ MNJ](https://data.pdbj.org/pdbjplus/data/cc/svg/MNJ.svg) | MNJ | Name: | 4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide | Formula: | C19 H15 F N2 O3 S | SMILES: | c1c(cccc1)c2ccc(F)c(c2)C(NNS(=O)(c3ccccc3)=O)=O | InChi: | InChI=1S/C19H15FN2O3S/c20-18-12-11-15(14-7-3-1-4-8-14)13-17(18)19(23)21-22-26(24,25)16-9-5-2-6-10-16/h1-13,22H,(H,21,23) | Definition date: | 2019-04-10 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | 4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide |
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![P5U P5U](https://data.pdbj.org/pdbjplus/data/cc/svg/P5U.svg) | P5U | Name: | O-[(4-cyanophenyl)sulfonyl]-L-serine | Formula: | C10 H10 N2 O5 S | SMILES: | NC(C(=O)O)COS(c1ccc(cc1)C#N)(=O)=O | InChi: | InChI=1S/C10H10N2O5S/c11-5-7-1-3-8(4-2-7)18(15,16)17-6-9(12)10(13)14/h1-4,9H,6,12H2,(H,13,14)/t9-/m0/s1 | Definition date: | 2018-06-28 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | O-[(4-cyanophenyl)sulfonyl]-L-serine |
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![MQJ MQJ](https://data.pdbj.org/pdbjplus/data/cc/svg/MQJ.svg) | MQJ | Name: | 2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide | Formula: | C17 H13 F N2 O3 S | SMILES: | C(=O)(c1ccccc1F)NNS(=O)(=O)c3cc2ccccc2cc3 | InChi: | InChI=1S/C17H13FN2O3S/c18-16-8-4-3-7-15(16)17(21)19-20-24(22,23)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,20H,(H,19,21) | Definition date: | 2019-04-10 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | 2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide |
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![LKD LKD](https://data.pdbj.org/pdbjplus/data/cc/svg/LKD.svg) | LKD | Name: | 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide | Formula: | C29 H28 Cl F2 N3 O2 S | SMILES: | C5(NC)CCC(N(C(=O)c2c(Cl)c1c(c(ccc1F)F)s2)Cc3c(ccc(c3)c4ccncc4)OC)CC5 | InChi: | InChI=1S/C29H28ClF2N3O2S/c1-33-20-4-6-21(7-5-20)35(29(36)28-26(30)25-22(31)8-9-23(32)27(25)38-28)16-19-15-18(3-10-24(19)37-2)17-11-13-34-14-12-17/h3,8-15,20-21,33H,4-7,16H2,1-2H3/t20-,21- | Definition date: | 2019-02-27 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide |
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![HFY HFY](https://data.pdbj.org/pdbjplus/data/cc/svg/HFY.svg) | HFY | Name: | 8-{[(2-chlorophenyl)methyl]amino}adenosine | Formula: | C17 H19 Cl N6 O4 | SMILES: | OC4C(n2c(nc1c(N)ncnc12)NCc3ccccc3Cl)OC(CO)C4O | InChi: | InChI=1S/C17H19ClN6O4/c18-9-4-2-1-3-8(9)5-20-17-23-11-14(19)21-7-22-15(11)24(17)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,20,23)(H2,19,21,22)/t10-,12-,13-,16-/m1/s1 | Definition date: | 2018-06-28 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | 8-{[(2-chlorophenyl)methyl]amino}adenosine |
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![9S0 9S0](https://data.pdbj.org/pdbjplus/data/cc/svg/9S0.svg) | 9S0 | Name: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | Formula: | C17 H17 N5 O5 | SMILES: | O2c3c(C(c1cc(OC)c(c(c1)N(=O)=O)O)C(=C2N)C#N)c(CCC)nn3 | InChi: | InChI=1S/C17H17N5O5/c1-3-4-10-14-13(9(7-18)16(19)27-17(14)21-20-10)8-5-11(22(24)25)15(23)12(6-8)26-2/h5-6,13,23H,3-4,19H2,1-2H3,(H,20,21)/t13-/m0/s1 | Definition date: | 2018-07-05 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
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![A8C A8C](https://data.pdbj.org/pdbjplus/data/cc/svg/A8C.svg) | A8C | Name: | 3-(methylsulfanyl)propanoic acid | Formula: | C4 H8 O2 S | SMILES: | CSCCC(=O)O | InChi: | InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6) | Definition date: | 2018-10-18 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | 3-(methylsulfanyl)propanoic acid |
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![CV9 CV9](https://data.pdbj.org/pdbjplus/data/cc/svg/CV9.svg) | CV9 | Name: | (2~{R},3~{R},5~{S},6~{E},8~{E},10~{Z},12~{S},13~{R},16~{Z},18~{E},20~{Z},22~{E},24~{R},25~{S},26~{E},28~{Z})-13-[(2~{S},3~{S},5~{S})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{R},3~{R},4~{S},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one | Formula: | C49 H71 N O12 | SMILES: | CO[CH]1C[CH](O)C=CC=CC=C[CH](C)[CH](OC(=O)C=CC=CC=CC(=C[CH](C)[CH](O[CH]2O[CH](C)[CH](O)[CH](OC)[CH]2OC)C=CC=Cc3coc(n3)[CH]1C)C)[CH](C)[CH](O)C[CH](C)O | InChi: | InChI=1S/C49H71NO12/c1-31-21-15-11-14-18-26-43(54)62-45(35(5)40(53)28-34(4)51)32(2)22-16-12-13-17-24-39(52)29-42(56-8)36(6)48-50-38(30-59-48)23-19-20-25-41(33(3)27-31)61-49-47(58-10)46(57-9)44(55)37(7)60-49/h11-27,30,32-37,39-42,44-47,49,51-53,55H,28-29H2,1-10H3/b13-12+,14-11+,21-15-,22-16-,23-19-,24-17+,25-20+,26-18-,31-27+/t32-,33+,34-,35-,36+,37+,39+,40-,41-,42+,44+,45+,46-,47+,49-/m0/s1 | Definition date: | 2019-02-19 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | (2~{R},3~{R},5~{S},6~{E},8~{E},10~{Z},12~{S},13~{R},16~{Z},18~{E},20~{Z},22~{E},24~{R},25~{S},26~{E},28~{Z})-13-[(2~{S},3~{S},5~{S})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{R},3~{R},4~{S},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one |
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![8DZ 8DZ](https://data.pdbj.org/pdbjplus/data/cc/svg/8DZ.svg) | 8DZ | Name: | (1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate) | Formula: | C31 H44 N2 O10 | SMILES: | COc3cc(C(OCCCN2CCCN(CCCOC(=O)c1cc(c(c(c1)OC)OC)OC)CC2)=O)cc(c3OC)OC | InChi: | InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3 | Definition date: | 2019-03-21 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | (1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate) |
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![G3T G3T](https://data.pdbj.org/pdbjplus/data/cc/svg/G3T.svg) | G3T | Name: | 1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea | Formula: | C22 H35 N3 O3 | SMILES: | CC(C)(C)N1CCO[CH](COc2ccc(NC(=O)NC3CCCCC3)cc2)C1 | InChi: | InChI=1S/C22H35N3O3/c1-22(2,3)25-13-14-27-20(15-25)16-28-19-11-9-18(10-12-19)24-21(26)23-17-7-5-4-6-8-17/h9-12,17,20H,4-8,13-16H2,1-3H3,(H2,23,24,26)/t20-/m0/s1 | Definition date: | 2018-08-23 | Last modified: | 2019-06-28 | Release date: | 2019-07-03 | Identifier: | 1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea |
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![JCG JCG](https://data.pdbj.org/pdbjplus/data/cc/svg/JCG.svg) | JCG | Name: | (2R)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | Formula: | C24 H25 F N2 O6 S | SMILES: | C3(C=C(c2c(F)cc(OCc1ccccc1)cc2)C=CN3CCC(C)(S(C)(=O)=O)C(=O)NO)=O | InChi: | InChI=1S/C24H25FN2O6S/c1-24(23(29)26-30,34(2,31)32)11-13-27-12-10-18(14-22(27)28)20-9-8-19(15-21(20)25)33-16-17-6-4-3-5-7-17/h3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,26,29)/t24-/m1/s1 | Definition date: | 2018-08-29 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | (2R)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide |
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![JT7 JT7](https://data.pdbj.org/pdbjplus/data/cc/svg/JT7.svg) | JT7 | Name: | N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide | Formula: | C19 H30 B Cl N2 O5 | SMILES: | Clc1c(C(NC(C(NC(CC(C)C)B(O)O)=O)CC(C)C)=O)ccc(OC)c1 | InChi: | InChI=1S/C19H30BClN2O5/c1-11(2)8-16(19(25)23-17(20(26)27)9-12(3)4)22-18(24)14-7-6-13(28-5)10-15(14)21/h6-7,10-12,16-17,26-27H,8-9H2,1-5H3,(H,22,24)(H,23,25)/t16-,17-/m0/s1 | Definition date: | 2017-11-01 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide |
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![KBS KBS](https://data.pdbj.org/pdbjplus/data/cc/svg/KBS.svg) | KBS | Name: | 2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid | Formula: | C18 H21 N O5 S2 | SMILES: | c1c(ccc(c1C(=O)O)Sc2ccc(OC)cc2)S(N(C)C(C)C)(=O)=O | InChi: | InChI=1S/C18H21NO5S2/c1-12(2)19(3)26(22,23)15-9-10-17(16(11-15)18(20)21)25-14-7-5-13(24-4)6-8-14/h5-12H,1-4H3,(H,20,21) | Definition date: | 2018-11-19 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | 2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid |
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![KBY KBY](https://data.pdbj.org/pdbjplus/data/cc/svg/KBY.svg) | KBY | Name: | N-[(3R)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine | Formula: | C34 H43 N3 O7 S2 | SMILES: | c1c(ccc(c1C(=O)NC(Cc2ccc(C(C)(C)C)cc2)CC(=O)NCC(=O)O)Sc3ccc(OC)cc3)S(N(C)C(C)C)(=O)=O | InChi: | InChI=1S/C34H43N3O7S2/c1-22(2)37(6)46(42,43)28-16-17-30(45-27-14-12-26(44-7)13-15-27)29(20-28)33(41)36-25(19-31(38)35-21-32(39)40)18-23-8-10-24(11-9-23)34(3,4)5/h8-17,20,22,25H,18-19,21H2,1-7H3,(H,35,38)(H,36,41)(H,39,40)/t25-/m1/s1 | Definition date: | 2018-11-19 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | N-[(3R)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl)sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine |
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![H1H H1H](https://data.pdbj.org/pdbjplus/data/cc/svg/H1H.svg) | H1H | Name: | 5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid | Formula: | C24 H32 N2 O6 | SMILES: | COc1ccccc1[CH](C)NC(=O)Nc2cc(OCCCC(C)C)c(OC)cc2C(O)=O | InChi: | InChI=1S/C24H32N2O6/c1-15(2)9-8-12-32-22-14-19(18(23(27)28)13-21(22)31-5)26-24(29)25-16(3)17-10-6-7-11-20(17)30-4/h6-7,10-11,13-16H,8-9,12H2,1-5H3,(H,27,28)(H2,25,26,29)/t16-/m0/s1 | Definition date: | 2018-11-02 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | 5-methoxy-2-[[(1~{S})-1-(2-methoxyphenyl)ethyl]carbamoylamino]-4-(4-methylpentoxy)benzoic acid |
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![N9V N9V](https://data.pdbj.org/pdbjplus/data/cc/svg/N9V.svg) | N9V | Name: | 5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) | Formula: | C26 H40 N7 O19 P3 S | SMILES: | CCC(C(O)=O)C(SCCNC([C@H]=CNC(C(O)C(COP(=O)(O)OP(=O)(O)OCC3C(C(O)C(n2cnc1c(N)ncnc12)O3)OP(O)(=O)O)(C)C)=O)=O)=O | InChi: | InChI=1S/C26H40N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h5-6,11-14,17-19,23,35-36H,4,7-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b6-5+/t13-,14+,17+,18+,19-,23+/m0/s1 | Definition date: | 2019-05-10 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | 5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) |
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![N9Y N9Y](https://data.pdbj.org/pdbjplus/data/cc/svg/N9Y.svg) | N9Y | Name: | (3S)-2-{(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-N-(pyridin-2-yl)hexahydropyridazine-3-carboxamide | Formula: | C20 H29 N5 O4 | SMILES: | C(N(C=O)O)C(CC1CCCC1)C(N2C(CCCN2)C(=O)Nc3ccccn3)=O | InChi: | InChI=1S/C20H29N5O4/c26-14-24(29)13-16(12-15-6-1-2-7-15)20(28)25-17(8-5-11-22-25)19(27)23-18-9-3-4-10-21-18/h3-4,9-10,14-17,22,29H,1-2,5-8,11-13H2,(H,21,23,27)/t16-,17+/m1/s1 | Definition date: | 2019-05-10 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | (3S)-2-{(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-N-(pyridin-2-yl)hexahydropyridazine-3-carboxamide |
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![O3P O3P](https://data.pdbj.org/pdbjplus/data/cc/svg/O3P.svg) | O3P | Name: | N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide | Formula: | C17 H22 N4 O | SMILES: | C(N)CN(C)Cc2cncc2c1cccc(c1)NC([C@H]=C)=O | InChi: | InChI=1S/C17H22N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h3-6,9-11,19H,1,7-8,12,18H2,2H3,(H,20,22) | Definition date: | 2019-06-06 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide |
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![O3S O3S](https://data.pdbj.org/pdbjplus/data/cc/svg/O3S.svg) | O3S | Name: | N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide | Formula: | C17 H24 N4 O | SMILES: | CCC(=O)Nc1cc(ccc1)c2c(cnc2)CN(C)CCN | InChi: | InChI=1S/C17H24N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h4-6,9-11,19H,3,7-8,12,18H2,1-2H3,(H,20,22) | Definition date: | 2019-06-06 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide |
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![VX7 VX7](https://data.pdbj.org/pdbjplus/data/cc/svg/VX7.svg) | VX7 | Name: | N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide | Formula: | C24 H28 N2 O3 | SMILES: | O=C2c1ccccc1NC=C2C(Nc3c(cc(c(c3)O)C(C)(C)C)C(C)(C)C)=O | InChi: | InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) | Definition date: | 2019-02-25 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide |
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![NB4 NB4](https://data.pdbj.org/pdbjplus/data/cc/svg/NB4.svg) | NB4 | Name: | (2R)-2-(cyclopentylmethyl)-N'-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide | Formula: | C22 H36 F N7 O4 | SMILES: | C(C1CCCC1)C(C(NNc2nc(C)nc(c2F)N4CCN3CCOCC3C4)=O)CN(CO)O | InChi: | InChI=1S/C22H36FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h16-18,31,33H,2-14H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1 | Definition date: | 2019-05-10 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | (2R)-2-(cyclopentylmethyl)-N'-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide |
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