![6M5 6M5](https://data.pdbj.org/pdbjplus/data/cc/svg/6M5.svg) | 6M5 | Name: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one | Formula: | C33 H40 N6 O4 | SMILES: | COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C5CCCCCC5)C(=O)[CH]6CC=CC[CH]46 | InChi: | InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1 | Definition date: | 2016-05-27 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 | Identifier: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one |
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![6T3 6T3](https://data.pdbj.org/pdbjplus/data/cc/svg/6T3.svg) | 6T3 | Name: | 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene | Formula: | C28 H32 N4 O3 | SMILES: | C1CCN(C1)CCOc2ccc3Nc4nccc(n4)c5cccc(COCC=CCOCc2c3)c5 | InChi: | InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+ | Definition date: | 2016-06-17 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 |
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![RSE RSE](https://data.pdbj.org/pdbjplus/data/cc/svg/RSE.svg) | RSE | Name: | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate | Formula: | C12 H21 N5 O13 P3 Se | SMILES: | CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P]([SeH])(=O)O[P](O)(O)=O)O[CH]1n2c[n+](C)c3C(=O)NC(=Nc23)N | InChi: | InChI=1S/C12H20N5O13P3Se/c1-16-4-17(9-6(16)10(19)15-12(13)14-9)11-8(26-2)7(18)5(28-11)3-27-32(23,24)30-33(25,34)29-31(20,21)22/h4-5,7-8,11,18H,3H2,1-2H3,(H6-,13,14,15,19,20,21,22,23,24,25,34)/p+1/t5-,7-,8-,11-,33-/m1/s1 | Definition date: | 2016-10-28 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 | Identifier: | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate |
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![9X8 9X8](https://data.pdbj.org/pdbjplus/data/cc/svg/9X8.svg) | 9X8 | Name: | thioacetyl-ADP-ribose | Formula: | C17 H25 N5 O14 P2 S | SMILES: | CC(=S)O[CH]1[CH](O)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O | InChi: | InChI=1S/C17H25N5O14P2S/c1-6(39)33-13-11(24)8(35-17(13)26)3-32-38(29,30)36-37(27,28)31-2-7-10(23)12(25)16(34-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,23-26H,2-3H2,1H3,(H,27,28)(H,29,30)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1 | Definition date: | 2017-07-22 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 | Identifier: | ~{O}-[(2~{S},3~{R},4~{R},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] ethanethioate |
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![SKH SKH](https://data.pdbj.org/pdbjplus/data/cc/svg/SKH.svg) | SKH | Name: | (3~{S})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid | Formula: | C12 H22 N2 O6 | SMILES: | C[C](O)(CC(O)=O)CC(=O)NCCCC[CH](N)C(O)=O | InChi: | InChI=1S/C12H22N2O6/c1-12(20,7-10(16)17)6-9(15)14-5-3-2-4-8(13)11(18)19/h8,20H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8-,12-/m0/s1 | Definition date: | 2017-07-22 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 | Identifier: | (3~{S})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid |
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![NZI NZI](https://data.pdbj.org/pdbjplus/data/cc/svg/NZI.svg) | NZI | Name: | [(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-3~{H}-benzimidazol-1-yl)oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate | Formula: | C12 H17 N2 O13 P3 | SMILES: | O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C(=O)Nc3ccccc23 | InChi: | InChI=1S/C12H17N2O13P3/c15-9-5-11(14-8-4-2-1-3-7(8)13-12(14)16)25-10(9)6-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-4,9-11,15H,5-6H2,(H,13,16)(H,20,21)(H,22,23)(H2,17,18,19)/t9-,10+,11+/m0/s1 | Definition date: | 2017-09-11 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 | Identifier: | [(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-3~{H}-benzimidazol-1-yl)oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate |
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![8KP 8KP](https://data.pdbj.org/pdbjplus/data/cc/svg/8KP.svg) | 8KP | Name: | N-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide | Formula: | C18 H20 N2 O2 S | SMILES: | CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(cc2)C | InChi: | InChI=1S/C18H20N2O2S/c1-4-16-10-17(9-14(3)18(16)11-19)20-23(21,22)12-15-7-5-13(2)6-8-15/h5-10,20H,4,12H2,1-3H3 | Definition date: | 2017-02-11 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 | Identifier: | N-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide |
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![8R3 8R3](https://data.pdbj.org/pdbjplus/data/cc/svg/8R3.svg) | 8R3 | Name: | 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid | Formula: | C24 H28 Cl N5 O5 | SMILES: | COc1ccc(Cl)cc1C[CH]2CNC(CN(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)=NN(C)C | InChi: | InChI=1S/C24H28ClN5O5/c1-29(2)28-21-13-30(14-22(31)27-19-6-4-5-15(11-19)24(33)34)23(32)17(12-26-21)9-16-10-18(25)7-8-20(16)35-3/h4-8,10-11,17H,9,12-14H2,1-3H3,(H,26,28)(H,27,31)(H,33,34)/t17-/m1/s1 | Definition date: | 2017-08-29 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 | Identifier: | 3-[2-[(3~{Z},6~{R})-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid |
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![AVB AVB](https://data.pdbj.org/pdbjplus/data/cc/svg/AVB.svg) | AVB | Name: | (3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide | Formula: | C11 H14 Br N3 O | SMILES: | Brc1ccc(NC(=O)[CH]2CCCNC2)nc1 | InChi: | InChI=1S/C11H14BrN3O/c12-9-3-4-10(14-7-9)15-11(16)8-2-1-5-13-6-8/h3-4,7-8,13H,1-2,5-6H2,(H,14,15,16)/t8-/m1/s1 | Definition date: | 2017-08-24 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 | Identifier: | (3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide |
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![HLY HLY](https://data.pdbj.org/pdbjplus/data/cc/svg/HLY.svg) | HLY | Name: | (3~{R})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid | Formula: | C12 H22 N2 O6 | SMILES: | C[C](O)(CC(O)=O)CC(=O)NCCCC[CH](N)C(O)=O | InChi: | InChI=1S/C12H22N2O6/c1-12(20,7-10(16)17)6-9(15)14-5-3-2-4-8(13)11(18)19/h8,20H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8-,12+/m0/s1 | Definition date: | 2017-07-22 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 | Identifier: | (3~{R})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid |
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![V0L V0L](https://data.pdbj.org/pdbjplus/data/cc/svg/V0L.svg) | V0L | Name: | volitinib | Formula: | C17 H15 N9 | SMILES: | C[CH](n1nnc2ncc(nc12)c3cnn(C)c3)c4ccc5nccn5c4 | InChi: | InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1 | Definition date: | 2016-06-17 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 | Identifier: | 3-[(1~{S})-1-imidazo[1,2-a]pyridin-6-ylethyl]-5-(1-methylpyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazine |
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![G53 G53](https://data.pdbj.org/pdbjplus/data/cc/svg/G53.svg) | G53 | Name: | methyl 2-{4-[{(2R,3S)-3-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate | Formula: | C32 H39 N3 O10 S | SMILES: | c1(ccc(cc1)S(=O)(N(CC(O)C(NC(OC2COC3OCCC23)=O)Cc4ccccc4)CC(C)C)=O)c5occ(n5)C(=O)OC | InChi: | InChI=1S/C32H39N3O10S/c1-20(2)16-35(46(39,40)23-11-9-22(10-12-23)29-33-26(18-43-29)30(37)41-3)17-27(36)25(15-21-7-5-4-6-8-21)34-32(38)45-28-19-44-31-24(28)13-14-42-31/h4-12,18,20,24-25,27-28,31,36H,13-17,19H2,1-3H3,(H,34,38)/t24-,25-,27+,28-,31+/m0/s1 | Definition date: | 2017-09-28 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | methyl 2-{4-[{(2R,3S)-3-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate |
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![G65 G65](https://data.pdbj.org/pdbjplus/data/cc/svg/G65.svg) | G65 | Name: | Masitinib | Formula: | C28 H30 N6 O S | SMILES: | CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4scc(n4)c5cccnc5)c3 | InChi: | InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32) | Definition date: | 2016-12-21 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | 4-[(4-methylpiperazin-1-yl)methyl]-~{N}-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide |
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![CZV CZV](https://data.pdbj.org/pdbjplus/data/cc/svg/CZV.svg) | CZV | Name: | 6-chloro-N-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C15 H11 Cl F3 N5 | SMILES: | c21cnnc1nc(Cl)nc2NC4(c3ccc(cc3)C(F)(F)F)CC4 | InChi: | InChI=1S/C15H11ClF3N5/c16-13-21-11(10-7-20-24-12(10)22-13)23-14(5-6-14)8-1-3-9(4-2-8)15(17,18)19/h1-4,7H,5-6H2,(H2,20,21,22,23,24) | Definition date: | 2017-10-10 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | 6-chloro-N-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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![CZY CZY](https://data.pdbj.org/pdbjplus/data/cc/svg/CZY.svg) | CZY | Name: | 6-chloro-1-methyl-N-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C15 H13 Cl F3 N5 | SMILES: | c21cnn(c1nc(Cl)nc2NC(c3ccc(cc3)C(F)(F)F)C)C | InChi: | InChI=1S/C15H13ClF3N5/c1-8(9-3-5-10(6-4-9)15(17,18)19)21-12-11-7-20-24(2)13(11)23-14(16)22-12/h3-8H,1-2H3,(H,21,22,23)/t8-/m1/s1 | Definition date: | 2017-10-10 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | 6-chloro-1-methyl-N-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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![75E 75E](https://data.pdbj.org/pdbjplus/data/cc/svg/75E.svg) | 75E | Name: | 7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Formula: | C19 H14 N6 O S | SMILES: | C1=CC(=CNC1=O)c2c(scc2)c4cc(NC3CC3)n5c(n4)c(cn5)C#N | InChi: | InChI=1S/C19H14N6OS/c20-8-12-10-22-25-16(23-13-2-3-13)7-15(24-19(12)25)18-14(5-6-27-18)11-1-4-17(26)21-9-11/h1,4-7,9-10,13,23H,2-3H2,(H,21,26) | Definition date: | 2016-08-26 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | 7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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![7JN 7JN](https://data.pdbj.org/pdbjplus/data/cc/svg/7JN.svg) | 7JN | Name: | 4'-fluoro-4,5-dihydroxy-N-{[(1R,2R)-2-{(2S,4R,5R)-4-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide | Formula: | C27 H27 F N6 O5 | SMILES: | n5(C1OC(CC1O)C4C(CNC(c3cc(c2ccc(F)cc2)cc(c3O)O)=O)C4)cnc6c5ncnc6NC | InChi: | InChI=1S/C27H27FN6O5/c1-29-24-22-25(32-11-31-24)34(12-33-22)27-20(36)9-21(39-27)17-7-15(17)10-30-26(38)18-6-14(8-19(35)23(18)37)13-2-4-16(28)5-3-13/h2-6,8,11-12,15,17,20-21,27,35-37H,7,9-10H2,1H3,(H,30,38)(H,29,31,32)/t15-,17+,20+,21-,27+/m0/s1 | Definition date: | 2016-11-02 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | 4'-fluoro-4,5-dihydroxy-N-{[(1R,2R)-2-{(2S,4R,5R)-4-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl}cyclopropyl]methyl}[1,1'-biphenyl]-3-carboxamide |
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![7JO 7JO](https://data.pdbj.org/pdbjplus/data/cc/svg/7JO.svg) | 7JO | Name: | N-[1-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide | Formula: | C25 H25 F N6 O6 | SMILES: | C[CH](C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)NC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5 | InChi: | InChI=1S/C25H25FN6O6/c1-11(31-24(37)15-7-13(8-16(33)19(15)34)12-2-4-14(26)5-3-12)6-17-20(35)21(36)25(38-17)32-10-30-18-22(27)28-9-29-23(18)32/h2-5,7-11,17,20-21,25,33-36H,6H2,1H3,(H,31,37)(H2,27,28,29)/t11-,17-,20-,21-,25-/m1/s1 | Definition date: | 2016-11-02 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | ~{N}-[(2~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide |
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![7JQ 7JQ](https://data.pdbj.org/pdbjplus/data/cc/svg/7JQ.svg) | 7JQ | Name: | 6-(4-fluorophenyl)quinazolin-8-ol | Formula: | C14 H9 F N2 O | SMILES: | Oc1cc(cc2cncnc12)c3ccc(F)cc3 | InChi: | InChI=1S/C14H9FN2O/c15-12-3-1-9(2-4-12)10-5-11-7-16-8-17-14(11)13(18)6-10/h1-8,18H | Definition date: | 2016-11-02 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | 6-(4-fluorophenyl)quinazolin-8-ol |
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![7JS 7JS](https://data.pdbj.org/pdbjplus/data/cc/svg/7JS.svg) | 7JS | Name: | 6-(4-fluorophenyl)quinolin-8-ol | Formula: | C15 H10 F N O | SMILES: | Oc1cc(cc2cccnc12)c3ccc(F)cc3 | InChi: | InChI=1S/C15H10FNO/c16-13-5-3-10(4-6-13)12-8-11-2-1-7-17-15(11)14(18)9-12/h1-9,18H | Definition date: | 2016-11-02 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | 6-(4-fluorophenyl)quinolin-8-ol |
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![7JW 7JW](https://data.pdbj.org/pdbjplus/data/cc/svg/7JW.svg) | 7JW | Name: | 7-(4-fluorophenyl)quinoxalin-5-ol | Formula: | C14 H9 F N2 O | SMILES: | Oc1cc(cc2nccnc12)c3ccc(F)cc3 | InChi: | InChI=1S/C14H9FN2O/c15-11-3-1-9(2-4-11)10-7-12-14(13(18)8-10)17-6-5-16-12/h1-8,18H | Definition date: | 2016-11-02 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | 7-(4-fluorophenyl)quinoxalin-5-ol |
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![7LG 7LG](https://data.pdbj.org/pdbjplus/data/cc/svg/7LG.svg) | 7LG | Name: | (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[hexyl-[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid | Formula: | C43 H66 F N5 O7 S | SMILES: | CCCCCCN([CH](C[CH](OC(C)=O)c1scc(n1)C(=O)N[CH](C[CH](C)C(O)=O)Cc2ccc(F)cc2)C(C)C)C(=O)[CH](NC(=O)[CH]3CCCCN3C)[CH](C)CC | InChi: | InChI=1S/C43H66FN5O7S/c1-9-11-12-14-22-49(42(53)38(28(5)10-2)47-40(52)35-16-13-15-21-48(35)8)36(27(3)4)25-37(56-30(7)50)41-46-34(26-57-41)39(51)45-33(23-29(6)43(54)55)24-31-17-19-32(44)20-18-31/h17-20,26-29,33,35-38H,9-16,21-25H2,1-8H3,(H,45,51)(H,47,52)(H,54,55)/t28-,29-,33+,35+,36+,37+,38-/m0/s1 | Definition date: | 2016-11-18 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[hexyl-[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid |
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![DYJ DYJ](https://data.pdbj.org/pdbjplus/data/cc/svg/DYJ.svg) | DYJ | Name: | 1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline | Formula: | C10 H13 N O5 | SMILES: | O=C(C1N(/C(C)=C/C(C(=O)O)=O)CCC1)O | InChi: | InChI=1S/C10H13NO5/c1-6(5-8(12)10(15)16)11-4-2-3-7(11)9(13)14/h5,7H,2-4H2,1H3,(H,13,14)(H,15,16)/b6-5+/t7-/m0/s1 | Definition date: | 2017-11-16 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | 1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline |
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![89U 89U](https://data.pdbj.org/pdbjplus/data/cc/svg/89U.svg) | 89U | Name: | 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one | Formula: | C22 H16 O3 | SMILES: | COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4ccccc24 | InChi: | InChI=1S/C22H16O3/c1-25-21-11-10-14(13-20(21)23)12-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-13,23H,1H3 | Definition date: | 2017-05-23 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one |
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![8CV 8CV](https://data.pdbj.org/pdbjplus/data/cc/svg/8CV.svg) | 8CV | Name: | N-(2-phenylethyl)imidodicarbonimidic diamide | Formula: | C10 H15 N5 | SMILES: | c1(CCNC(=N)N/C(N)=N)ccccc1 | InChi: | InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15) | Definition date: | 2017-01-19 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | N-(2-phenylethyl)imidodicarbonimidic diamide |
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