![QOB QOB](https://data.pdbj.org/pdbjplus/data/cc/svg/QOB.svg) | QOB | Name: | ~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide | Formula: | C26 H40 N4 O6 | SMILES: | C[CH](O)[CH](NC(=O)CCCCc1ccccc1)C(=O)N[CH]2C[CH](O)CCNC(=O)CC[CH](C)NC2=O | InChi: | InChI=1S/C26H40N4O6/c1-17-12-13-22(33)27-15-14-20(32)16-21(25(35)28-17)29-26(36)24(18(2)31)30-23(34)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,17-18,20-21,24,31-32H,6-7,10-16H2,1-2H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/t17-,18+,20-,21-,24-/m0/s1 | Synonyms: | Syrbactin inhibitor | Definition date: | 2020-07-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | ~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide |
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![QOE QOE](https://data.pdbj.org/pdbjplus/data/cc/svg/QOE.svg) | QOE | Name: | (2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide | Formula: | C24 H36 N4 O6 | SMILES: | C[CH](O)[CH](NC(=O)CCc1ccccc1)C(=O)N[CH]2C[CH](O)CCNC(=O)CC[CH](C)NC2=O | InChi: | InChI=1S/C24H36N4O6/c1-15-8-10-20(31)25-13-12-18(30)14-19(23(33)26-15)27-24(34)22(16(2)29)28-21(32)11-9-17-6-4-3-5-7-17/h3-7,15-16,18-19,22,29-30H,8-14H2,1-2H3,(H,25,31)(H,26,33)(H,27,34)(H,28,32)/t15-,16+,18-,19-,22-/m0/s1 | Synonyms: | HB335 | Definition date: | 2020-07-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide |
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![QOH QOH](https://data.pdbj.org/pdbjplus/data/cc/svg/QOH.svg) | QOH | Name: | 11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide | Formula: | C28 H52 N4 O6 | SMILES: | CC(C)CCCCCCCCCC(=O)N[CH]([CH](C)O)C(=O)N[CH]1C[CH](O)CCNC(=O)CC[CH](C)NC1=O | InChi: | InChI=1S/C28H52N4O6/c1-19(2)12-10-8-6-5-7-9-11-13-25(36)32-26(21(4)33)28(38)31-23-18-22(34)16-17-29-24(35)15-14-20(3)30-27(23)37/h19-23,26,33-34H,5-18H2,1-4H3,(H,29,35)(H,30,37)(H,31,38)(H,32,36)/t20-,21+,22-,23-,26-/m0/s1 | Synonyms: | Syrbactin inhibitor | Definition date: | 2020-07-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide |
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![XE7 XE7](https://data.pdbj.org/pdbjplus/data/cc/svg/XE7.svg) | XE7 | Name: | 3-{(1R)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrrole-2-carbonyl)amino]ethyl}-1H-pyrazole-5-carboxamide | Formula: | C19 H19 F3 N6 O2 | SMILES: | c1cc(C(F)(F)F)ncc1Cc3cnc(C(NC(C)c2cc(nn2)C(N)=O)=O)c3C | InChi: | InChI=1S/C19H19F3N6O2/c1-9-12(5-11-3-4-15(24-7-11)19(20,21)22)8-25-16(9)18(30)26-10(2)13-6-14(17(23)29)28-27-13/h3-4,6-8,10,25H,5H2,1-2H3,(H2,23,29)(H,26,30)(H,27,28)/t10-/m1/s1 | Definition date: | 2020-12-14 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 3-{(1R)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrrole-2-carbonyl)amino]ethyl}-1H-pyrazole-5-carboxamide |
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![V5W V5W](https://data.pdbj.org/pdbjplus/data/cc/svg/V5W.svg) | V5W | Name: | 4-(Cyclopentylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide | Formula: | C23 H28 Cl2 N6 O3 | SMILES: | Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC4CCCC4)n2)c1 | InChi: | InChI=1S/C23H28Cl2N6O3/c24-16-6-7-19(25)15(12-16)13-27-22-28-14-18(20(30-22)29-17-4-1-2-5-17)21(32)26-8-3-9-31-10-11-34-23(31)33/h6-7,12,14,17H,1-5,8-11,13H2,(H,26,32)(H2,27,28,29,30) | Synonyms: | 2-[[2,5-bis(chloranyl)phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide | Definition date: | 2021-04-19 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 2-[[2,5-bis(chloranyl)phenyl]methylamino]-4-(cyclopentylamino)-~{N}-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide |
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![V62 V62](https://data.pdbj.org/pdbjplus/data/cc/svg/V62.svg) | V62 | Name: | 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide | Formula: | C25 H32 Br2 N6 O3 | SMILES: | Cc1cc(Br)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC4CCCCC4)n2)cc1Br | InChi: | InChI=1S/C25H32Br2N6O3/c1-16-12-21(27)17(13-20(16)26)14-29-24-30-15-19(22(32-24)31-18-6-3-2-4-7-18)23(34)28-8-5-9-33-10-11-36-25(33)35/h12-13,15,18H,2-11,14H2,1H3,(H,28,34)(H2,29,30,31,32) | Definition date: | 2021-04-19 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-~{N}-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide |
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![V6B V6B](https://data.pdbj.org/pdbjplus/data/cc/svg/V6B.svg) | V6B | Name: | 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide | Formula: | C24 H30 Br2 N6 O3 | SMILES: | Cc1cc(Br)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC4CCCC4)n2)cc1Br | InChi: | InChI=1S/C24H30Br2N6O3/c1-15-11-20(26)16(12-19(15)25)13-28-23-29-14-18(21(31-23)30-17-5-2-3-6-17)22(33)27-7-4-8-32-9-10-35-24(32)34/h11-12,14,17H,2-10,13H2,1H3,(H,27,33)(H2,28,29,30,31) | Definition date: | 2021-04-19 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-~{N}-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide |
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![V6E V6E](https://data.pdbj.org/pdbjplus/data/cc/svg/V6E.svg) | V6E | Name: | 4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide | Formula: | C24 H30 Cl2 N6 O2 | SMILES: | Clc1ccc(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC4CCCC4)n2)cc1Cl | InChi: | InChI=1S/C24H30Cl2N6O2/c25-19-9-8-16(13-20(19)26)14-28-24-29-15-18(22(31-24)30-17-5-1-2-6-17)23(34)27-10-4-12-32-11-3-7-21(32)33/h8-9,13,15,17H,1-7,10-12,14H2,(H,27,34)(H2,28,29,30,31) | Definition date: | 2021-04-19 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide |
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![V6H V6H](https://data.pdbj.org/pdbjplus/data/cc/svg/V6H.svg) | V6H | Name: | 2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide | Formula: | C24 H30 F2 N6 O2 | SMILES: | Fc1ccc(F)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC4CCCC4)n2)c1 | InChi: | InChI=1S/C24H30F2N6O2/c25-17-8-9-20(26)16(13-17)14-28-24-29-15-19(22(31-24)30-18-5-1-2-6-18)23(34)27-10-4-12-32-11-3-7-21(32)33/h8-9,13,15,18H,1-7,10-12,14H2,(H,27,34)(H2,28,29,30,31) | Definition date: | 2021-04-19 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide |
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![UEJ UEJ](https://data.pdbj.org/pdbjplus/data/cc/svg/UEJ.svg) | UEJ | Name: | N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide | Formula: | C33 H25 F N6 O5 S | SMILES: | c6ccc5C(=O)N(Cc4c(ccc(F)c4C(=O)Nc3cccc(c2c(c1cc(NC(C)=O)ncc1)nc(n2)SC)c3)O)C(c5c6)=O | InChi: | InChI=1S/C33H25FN6O5S/c1-17(41)36-26-15-19(12-13-35-26)29-28(38-33(39-29)46-2)18-6-5-7-20(14-18)37-30(43)27-23(25(42)11-10-24(27)34)16-40-31(44)21-8-3-4-9-22(21)32(40)45/h3-15,42H,16H2,1-2H3,(H,37,43)(H,38,39)(H,35,36,41) | Definition date: | 2020-05-12 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide |
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![YGM YGM](https://data.pdbj.org/pdbjplus/data/cc/svg/YGM.svg) | YGM | Name: | (but-3-en-1-yl)benzene | Formula: | C10 H12 | SMILES: | C=CCCc1ccccc1 | InChi: | InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2 | Definition date: | 2021-03-03 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (but-3-en-1-yl)benzene |
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![VP7 VP7](https://data.pdbj.org/pdbjplus/data/cc/svg/VP7.svg) | VP7 | Name: | 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol | Formula: | C20 H20 N4 O | SMILES: | n1cc2c(nc1N)c3c(CCC2)nc4c3cc(C#CC(C)(C)O)cc4 | InChi: | InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24) | Definition date: | 2020-08-31 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol |
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![Y2A Y2A](https://data.pdbj.org/pdbjplus/data/cc/svg/Y2A.svg) | Y2A | Name: | (2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid | Formula: | C6 H9 O10 P | SMILES: | C(C(CC(=O)OP(O)(O)=O)(C(=O)O)O)C(O)=O | InChi: | InChI=1S/C6H9O10P/c7-3(8)1-6(12,5(10)11)2-4(9)16-17(13,14)15/h12H,1-2H2,(H,7,8)(H,10,11)(H2,13,14,15)/t6-/m0/s1 | Definition date: | 2021-01-28 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid |
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![NY3 NY3](https://data.pdbj.org/pdbjplus/data/cc/svg/NY3.svg) | NY3 | Name: | 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate | Formula: | C27 H30 N4 O4 | SMILES: | CCN(CC)c1ccc2C(=C(CCOC(=O)NCc3cccc(c3)c4[nH]cnc4)C(=O)Oc2c1)C | InChi: | InChI=1S/C27H30N4O4/c1-4-31(5-2)21-9-10-22-18(3)23(26(32)35-25(22)14-21)11-12-34-27(33)29-15-19-7-6-8-20(13-19)24-16-28-17-30-24/h6-10,13-14,16-17H,4-5,11-12,15H2,1-3H3,(H,28,30)(H,29,33) | Definition date: | 2021-02-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate |
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![NY6 NY6](https://data.pdbj.org/pdbjplus/data/cc/svg/NY6.svg) | NY6 | Name: | 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione | Formula: | C27 H32 N6 O5 | SMILES: | CCN(CC)c1ccc2C(=C(CCN3C(=O)NC4(CCN(CC4)C(=O)c5[nH]cnc5)C3=O)C(=O)Oc2c1)C | InChi: | InChI=1S/C27H32N6O5/c1-4-31(5-2)18-6-7-19-17(3)20(24(35)38-22(19)14-18)8-11-33-25(36)27(30-26(33)37)9-12-32(13-10-27)23(34)21-15-28-16-29-21/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,28,29)(H,30,37) | Definition date: | 2021-02-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione |
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![ZNV ZNV](https://data.pdbj.org/pdbjplus/data/cc/svg/ZNV.svg) | ZNV | Name: | 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene | Formula: | C9 H9 F O | SMILES: | Fc1ccccc1OCC=C | InChi: | InChI=1S/C9H9FO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2 | Definition date: | 2021-05-12 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene |
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![NYO NYO](https://data.pdbj.org/pdbjplus/data/cc/svg/NYO.svg) | NYO | Name: | (5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione | Formula: | C26 H30 N6 O5 | SMILES: | CCN(CC)c1ccc2C(=C(CCN3C(=O)N[C]4(CCN(C4)C(=O)c5c[nH]cn5)C3=O)C(=O)Oc2c1)C | InChi: | InChI=1S/C26H30N6O5/c1-4-30(5-2)17-6-7-18-16(3)19(23(34)37-21(18)12-17)8-10-32-24(35)26(29-25(32)36)9-11-31(14-26)22(33)20-13-27-15-28-20/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,27,28)(H,29,36)/t26-/m1/s1 | Definition date: | 2021-02-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione |
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![UJ7 UJ7](https://data.pdbj.org/pdbjplus/data/cc/svg/UJ7.svg) | UJ7 | Name: | (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide | Formula: | C35 H49 N5 O3 S | SMILES: | N2(CC(C(NCc1cccs1)=O)N(CC2)C(C(CC3CCCCC3)NC4CCCCC4)=O)C=6OC(c5ccccc5)C(C)N=6 | InChi: | InChI=1S/C35H49N5O3S/c1-25-32(27-14-7-3-8-15-27)43-35(37-25)39-19-20-40(31(24-39)33(41)36-23-29-18-11-21-44-29)34(42)30(22-26-12-5-2-6-13-26)38-28-16-9-4-10-17-28/h3,7-8,11,14-15,18,21,25-26,28,30-32,38H,2,4-6,9-10,12-13,16-17,19-20,22-24H2,1H3,(H,36,41)/t25-,30-,31+,32-/m1/s1 | Definition date: | 2020-05-18 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide |
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![UJA UJA](https://data.pdbj.org/pdbjplus/data/cc/svg/UJA.svg) | UJA | Name: | (2S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(N,3-dicyclohexyl-D-alanyl)-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide | Formula: | C32 H42 Cl N5 O3 S | SMILES: | C3N(c1oc2c(n1)cc(Cl)cc2)CCN(C3C(NCc4cccs4)=O)C(=O)C(CC5CCCCC5)NC6CCCCC6 | InChi: | InChI=1S/C32H42ClN5O3S/c33-23-13-14-29-26(19-23)36-32(41-29)37-15-16-38(28(21-37)30(39)34-20-25-12-7-17-42-25)31(40)27(18-22-8-3-1-4-9-22)35-24-10-5-2-6-11-24/h7,12-14,17,19,22,24,27-28,35H,1-6,8-11,15-16,18,20-21H2,(H,34,39)/t27-,28+/m1/s1 | Definition date: | 2020-05-18 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (2S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(N,3-dicyclohexyl-D-alanyl)-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide |
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![VSY VSY](https://data.pdbj.org/pdbjplus/data/cc/svg/VSY.svg) | VSY | Name: | (3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol | Formula: | C16 H16 N6 O | SMILES: | Nc3nccc(n2c1cc(C#CC(C)(O)CC)ncc1cn2)n3 | InChi: | InChI=1S/C16H16N6O/c1-3-16(2,23)6-4-12-8-13-11(9-19-12)10-20-22(13)14-5-7-18-15(17)21-14/h5,7-10,23H,3H2,1-2H3,(H2,17,18,21)/t16-/m0/s1 | Definition date: | 2020-09-11 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | (3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol |
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![Z6P Z6P](https://data.pdbj.org/pdbjplus/data/cc/svg/Z6P.svg) | Z6P | Name: | 2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide | Formula: | C24 H22 F2 N4 O3 | SMILES: | O=C(NC1CC1)c1cc(cnc1N)c1ccc(NC(=O)C(O)c2cc(F)cc(F)c2)cc1C | InChi: | InChI=1S/C24H22F2N4O3/c1-12-6-18(30-24(33)21(31)13-7-15(25)10-16(26)8-13)4-5-19(12)14-9-20(22(27)28-11-14)23(32)29-17-2-3-17/h4-11,17,21,31H,2-3H2,1H3,(H2,27,28)(H,29,32)(H,30,33)/t21-/m1/s1 | Definition date: | 2021-04-09 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide |
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![VEB VEB](https://data.pdbj.org/pdbjplus/data/cc/svg/VEB.svg) | VEB | Name: | [oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid | Formula: | C7 H21 O26 P7 | SMILES: | O[P](O)(=O)C[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O | InChi: | InChI=1S/C7H21O26P7/c8-34(9,10)1-35(11,12)28-2-3(29-36(13,14)15)5(31-38(19,20)21)7(33-40(25,26)27)6(32-39(22,23)24)4(2)30-37(16,17)18/h2-7H,1H2,(H,11,12)(H2,8,9,10)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/t2-,3-,4-,5+,6-,7-/m0/s1 | Synonyms: | PCP-InsP7 | Definition date: | 2021-05-11 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | [oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid |
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![SJN SJN](https://data.pdbj.org/pdbjplus/data/cc/svg/SJN.svg) | SJN | Name: | 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid | Formula: | C10 H8 N2 O3 | SMILES: | Cc1ccc2C(=O)C(=CNc2n1)C(O)=O | InChi: | InChI=1S/C10H8N2O3/c1-5-2-3-6-8(13)7(10(14)15)4-11-9(6)12-5/h2-4H,1H3,(H,14,15)(H,11,12,13) | Synonyms: | 7-methyl-4-oxidanylidene-3~{H}-1,8-naphthyridine-3-carboxylic acid | Definition date: | 2020-11-18 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 7-methyl-4-oxidanylidene-1~{H}-1,8-naphthyridine-3-carboxylic acid |
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![X9J X9J](https://data.pdbj.org/pdbjplus/data/cc/svg/X9J.svg) | X9J | Name: | 3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide | Formula: | C24 H23 F N8 O2 | SMILES: | c2cc(CNC(=O)c1nc(no1)C(C)(C)C)c(cc2c3ccnc5c3nc(c4cn(C)nc4)n5)F | InChi: | InChI=1S/C24H23FN8O2/c1-24(2,3)23-31-22(35-32-23)21(34)27-10-14-6-5-13(9-17(14)25)16-7-8-26-20-18(16)29-19(30-20)15-11-28-33(4)12-15/h5-9,11-12H,10H2,1-4H3,(H,27,34)(H,26,29,30) | Definition date: | 2020-12-07 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide |
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![X9M X9M](https://data.pdbj.org/pdbjplus/data/cc/svg/X9M.svg) | X9M | Name: | 4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide | Formula: | C35 H35 N5 O3 | SMILES: | c1(ccnc4c1nc(c2ccc(cc2)C(N3CCOCC3)=O)n4)c5c(C)c(ccc5)NC(=O)c6ccc(C(C)(C)C)cc6 | InChi: | InChI=1S/C35H35N5O3/c1-22-27(6-5-7-29(22)37-33(41)24-12-14-26(15-13-24)35(2,3)4)28-16-17-36-32-30(28)38-31(39-32)23-8-10-25(11-9-23)34(42)40-18-20-43-21-19-40/h5-17H,18-21H2,1-4H3,(H,37,41)(H,36,38,39) | Definition date: | 2020-12-07 | Last modified: | 2021-05-14 | Release date: | 2021-05-19 | Identifier: | 4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide |
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