![9DL 9DL](https://data.pdbj.org/pdbjplus/data/cc/svg/9DL.svg) | 9DL | Name: | 5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide | Formula: | C14 H21 N3 O3 | SMILES: | O=C(Nc1ccccc1)CN(C)CCCCC(=O)NO | InChi: | InChI=1S/C14H21N3O3/c1-17(10-6-5-9-13(18)16-20)11-14(19)15-12-7-3-2-4-8-12/h2-4,7-8,20H,5-6,9-11H2,1H3,(H,15,19)(H,16,18) | Definition date: | 2021-10-06 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide |
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![8ZI 8ZI](https://data.pdbj.org/pdbjplus/data/cc/svg/8ZI.svg) | 8ZI | Name: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C28 H47 N5 O6 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C | InChi: | InChI=1S/C28H47N5O6/c1-26(2,3)12-17(34)32-21(27(4,5)6)25(39)33-13-15-18(28(15,7)8)19(33)24(38)31-16(20(35)22(29)36)11-14-9-10-30-23(14)37/h14-16,18-21,35H,9-13H2,1-8H3,(H2,29,36)(H,30,37)(H,31,38)(H,32,34)/t14-,15-,16-,18-,19-,20+,21+/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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![90H 90H](https://data.pdbj.org/pdbjplus/data/cc/svg/90H.svg) | 90H | Name: | (1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C25 H38 F3 N5 O6 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NC)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C | InChi: | InChI=1S/C25H38F3N5O6/c1-23(2,3)17(32-22(39)25(26,27)28)21(38)33-10-12-14(24(12,4)5)15(33)19(36)31-13(16(34)20(37)29-6)9-11-7-8-30-18(11)35/h11-17,34H,7-10H2,1-6H3,(H,29,37)(H,30,35)(H,31,36)(H,32,39)/t11-,12-,13-,14-,15-,16+,17+/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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![90U 90U](https://data.pdbj.org/pdbjplus/data/cc/svg/90U.svg) | 90U | Name: | benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate | Formula: | C24 H32 N4 O6 | SMILES: | NC(=O)C(O)C(CC1CCNC1=O)NC(=O)C1C2C(CN1C(=O)OCc1ccccc1)C2(C)C | InChi: | InChI=1S/C24H32N4O6/c1-24(2)15-11-28(23(33)34-12-13-6-4-3-5-7-13)18(17(15)24)22(32)27-16(19(29)20(25)30)10-14-8-9-26-21(14)31/h3-7,14-19,29H,8-12H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32)/t14-,15-,16-,17-,18-,19+/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate |
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![91I 91I](https://data.pdbj.org/pdbjplus/data/cc/svg/91I.svg) | 91I | Name: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C25 H34 N4 O5 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)CCc1ccccc1 | InChi: | InChI=1S/C25H34N4O5/c1-25(2)16-13-29(18(30)9-8-14-6-4-3-5-7-14)20(19(16)25)24(34)28-17(21(31)22(26)32)12-15-10-11-27-23(15)33/h3-7,15-17,19-21,31H,8-13H2,1-2H3,(H2,26,32)(H,27,33)(H,28,34)/t15-,16-,17-,19-,20-,21+/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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![91Z 91Z](https://data.pdbj.org/pdbjplus/data/cc/svg/91Z.svg) | 91Z | Name: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C24 H30 F3 N5 O5 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)CNc1c(F)cc(F)cc1F | InChi: | InChI=1S/C24H30F3N5O5/c1-24(2)12-9-32(16(33)8-30-18-13(26)6-11(25)7-14(18)27)19(17(12)24)23(37)31-15(20(34)21(28)35)5-10-3-4-29-22(10)36/h6-7,10,12,15,17,19-20,30,34H,3-5,8-9H2,1-2H3,(H2,28,35)(H,29,36)(H,31,37)/t10-,12-,15-,17-,19-,20+/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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![D06 D06](https://data.pdbj.org/pdbjplus/data/cc/svg/D06.svg) | D06 | Name: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one | Formula: | C20 H29 N3 O | SMILES: | O=C(N1Cc2ccccc2C1)C(N)C1CCC(CC1)N1CCCC1 | InChi: | InChI=1S/C20H29N3O/c21-19(15-7-9-18(10-8-15)22-11-3-4-12-22)20(24)23-13-16-5-1-2-6-17(16)14-23/h1-2,5-6,15,18-19H,3-4,7-14,21H2/t15-,18-,19-/m0/s1 | Definition date: | 2021-11-23 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one |
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![E4C E4C](https://data.pdbj.org/pdbjplus/data/cc/svg/E4C.svg) | E4C | Name: | (8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one | Formula: | C22 H30 N6 O | SMILES: | CC(C)(C)c1ccc(cc1)CNc1nc2N=C(CC(=O)n2n1)CN1CCCCC1 | InChi: | InChI=1S/C22H30N6O/c1-22(2,3)17-9-7-16(8-10-17)14-23-20-25-21-24-18(13-19(29)28(21)26-20)15-27-11-5-4-6-12-27/h7-10H,4-6,11-15H2,1-3H3,(H,23,26) | Definition date: | 2021-12-02 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one |
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![E5B E5B](https://data.pdbj.org/pdbjplus/data/cc/svg/E5B.svg) | E5B | Name: | (8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | Formula: | C21 H28 N6 O2 | SMILES: | CC(C)(C)c1ccc(cc1)CNc1nc2NC(CN3CCOCC3)=CC(=O)n2n1 | InChi: | InChI=1S/C21H28N6O2/c1-21(2,3)16-6-4-15(5-7-16)13-22-19-24-20-23-17(12-18(28)27(20)25-19)14-26-8-10-29-11-9-26/h4-7,12H,8-11,13-14H2,1-3H3,(H2,22,23,24,25) | Definition date: | 2021-12-02 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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![E66 E66](https://data.pdbj.org/pdbjplus/data/cc/svg/E66.svg) | E66 | Name: | (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine | Formula: | C23 H33 N7 O | SMILES: | CC(C)(C)c1ccc(cc1)CNc1nc2nc(CN3CCOCC3)cc(N(C)C)n2n1 | InChi: | InChI=1S/C23H33N7O/c1-23(2,3)18-8-6-17(7-9-18)15-24-21-26-22-25-19(16-29-10-12-31-13-11-29)14-20(28(4)5)30(22)27-21/h6-9,14H,10-13,15-16H2,1-5H3,(H,24,27) | Definition date: | 2021-12-02 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine |
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![GJF GJF](https://data.pdbj.org/pdbjplus/data/cc/svg/GJF.svg) | GJF | Name: | (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol | Formula: | C20 H24 N10 O10 P2 S2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O[CH]5[CH](O)[CH](CO[P](S)(=O)O[CH]4[CH]3O)O[CH]5n6cnc7c(N)ncnc67 | InChi: | InChI=1S/C20H24N10O10P2S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-,41+,42+/m1/s1 | Definition date: | 2022-05-15 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol |
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![8KF 8KF](https://data.pdbj.org/pdbjplus/data/cc/svg/8KF.svg) | 8KF | Name: | 2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid | Formula: | C20 H13 F3 N2 O2 | SMILES: | FC(F)(F)c1ccc(Nc2cc3c4ccccc4[NH]c3cc2)c(c1)C(=O)O | InChi: | InChI=1S/C20H13F3N2O2/c21-20(22,23)11-5-7-18(15(9-11)19(26)27)24-12-6-8-17-14(10-12)13-3-1-2-4-16(13)25-17/h1-10,24-25H,(H,26,27) | Definition date: | 2021-09-22 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid |
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![8KQ 8KQ](https://data.pdbj.org/pdbjplus/data/cc/svg/8KQ.svg) | 8KQ | Name: | 2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid | Formula: | C20 H17 F3 N2 O2 | SMILES: | FC(F)(F)c1ccc(NC2Cc3c4ccccc4[NH]c3CC2)c(c1)C(=O)O | InChi: | InChI=1S/C20H17F3N2O2/c21-20(22,23)11-5-7-18(15(9-11)19(26)27)24-12-6-8-17-14(10-12)13-3-1-2-4-16(13)25-17/h1-5,7,9,12,24-25H,6,8,10H2,(H,26,27)/t12-/m1/s1 | Definition date: | 2021-09-22 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid |
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![AU0 AU0](https://data.pdbj.org/pdbjplus/data/cc/svg/AU0.svg) | AU0 | Name: | Caylin-1 | Formula: | C30 H28 Cl4 N4 O4 | SMILES: | COc1ccc(c(OC(C)C)c1)C2=N[CH]([CH](N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)c(Cl)c4)c5ccc(Cl)c(Cl)c5 | InChi: | InChI=1S/C30H28Cl4N4O4/c1-16(2)42-25-14-19(41-3)6-7-20(25)29-36-27(17-4-8-21(31)23(33)12-17)28(18-5-9-22(32)24(34)13-18)38(29)30(40)37-11-10-35-26(39)15-37/h4-9,12-14,16,27-28H,10-11,15H2,1-3H3,(H,35,39)/t27-,28+/m0/s1 | Synonyms: | 4-[[(4~{S},5~{R})-4,5-bis(3,4-dichlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one | Definition date: | 2021-12-01 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | 4-[[(4~{S},5~{R})-4,5-bis(3,4-dichlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one |
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![JYO JYO](https://data.pdbj.org/pdbjplus/data/cc/svg/JYO.svg) | JYO | Name: | (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol | Formula: | C22 H20 F3 N3 O2 | SMILES: | NCC[CH]1CN=C(O)c2cc(c3cccc(OC(F)(F)F)c3)c(n12)c4ccccc4 | InChi: | InChI=1S/C22H20F3N3O2/c23-22(24,25)30-17-8-4-7-15(11-17)18-12-19-21(29)27-13-16(9-10-26)28(19)20(18)14-5-2-1-3-6-14/h1-8,11-12,16H,9-10,13,26H2,(H,27,29)/t16-/m0/s1 | Definition date: | 2022-05-16 | Last modified: | 2022-09-30 | Release date: | 2022-10-05 | Identifier: | (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol |
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![R28 R28](https://data.pdbj.org/pdbjplus/data/cc/svg/R28.svg) | R28 | Name: | propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Formula: | C32 H41 N7 O4 | SMILES: | CCC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C | InChi: | InChI=1S/C32H41N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h10-13,16-20H,9,14-15H2,1-8H3,(H,34,40)(H,33,35,36) | Synonyms: | Mobocertinib, bound form | Definition date: | 2020-08-26 | Last modified: | 2022-09-28 | Release date: | 2022-02-23 | Identifier: | propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate |
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![R2E R2E](https://data.pdbj.org/pdbjplus/data/cc/svg/R2E.svg) | R2E | Name: | 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one | Formula: | C23 H23 Cl2 F N4 O3 | SMILES: | CCC(=O)N1CCC(CC1)Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC | InChi: | InChI=1S/C23H23Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h4-5,10-13H,3,6-9H2,1-2H3,(H,27,28,29) | Synonyms: | Poziotinib, bound form | Definition date: | 2020-08-26 | Last modified: | 2022-09-28 | Release date: | 2022-02-23 | Identifier: | 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one |
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![1IX 1IX](https://data.pdbj.org/pdbjplus/data/cc/svg/1IX.svg) | 1IX | Name: | (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol | Formula: | C24 H21 Cl F N5 O3 | SMILES: | COc1ccc(nn1)[CH](O)c2cc(c(F)cc2Cl)c3ncnc4cc(ccc34)N5CCOCC5 | InChi: | InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1 | Synonyms: | Nedisertib | Definition date: | 2021-06-11 | Last modified: | 2022-09-28 | Release date: | 2022-01-12 | Identifier: | (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol |
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![72Q 72Q](https://data.pdbj.org/pdbjplus/data/cc/svg/72Q.svg) | 72Q | Name: | 3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile | Formula: | C17 H12 F3 N O4 S | SMILES: | N#Cc1cc(cc(c1)F)Oc2ccc(c3c2C(F)C(C3O)F)S(C)(=O)=O | InChi: | InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1 | Synonyms: | Belzutifan | Definition date: | 2016-08-17 | Last modified: | 2022-09-28 | Release date: | 2016-08-31 | Identifier: | 3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile |
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![94M 94M](https://data.pdbj.org/pdbjplus/data/cc/svg/94M.svg) | 94M | Name: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine | Formula: | C14 H15 Cl N6 O | SMILES: | Clc3nc(nc1c3ncn1Cc2ncc(c(OC)c2C)C)N | InChi: | InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20) | Synonyms: | BIIB021 | Definition date: | 2010-07-30 | Last modified: | 2022-09-28 | Identifier: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine |
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![7LD 7LD](https://data.pdbj.org/pdbjplus/data/cc/svg/7LD.svg) | 7LD | Name: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide | Formula: | C20 H25 N3 O | SMILES: | n1c4cccc2c4c(c1)CC3N(CC(C=C23)C(N(CC)CC)=O)C | InChi: | InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1 | Synonyms: | Lysergic acid diethylamide | Definition date: | 2016-11-10 | Last modified: | 2022-09-27 | Release date: | 2017-02-01 | Identifier: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide |
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![92S 92S](https://data.pdbj.org/pdbjplus/data/cc/svg/92S.svg) | 92S | Name: | 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one | Formula: | C24 H28 F N3 O | SMILES: | CN1CCN2[CH]3CCN(CCCC(=O)c4ccc(F)cc4)C[CH]3c5cccc1c25 | InChi: | InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1 | Synonyms: | lumateperone | Definition date: | 2022-01-01 | Last modified: | 2022-09-27 | Release date: | 2022-01-26 | Identifier: | 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one |
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![IMH IMH](https://data.pdbj.org/pdbjplus/data/cc/svg/IMH.svg) | IMH | Name: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL | Formula: | C11 H14 N4 O4 | SMILES: | OC1C(NC(CO)C1O)c1c[NH]c2c1N=CNC2=O | InChi: | InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1 | Synonyms: | Forodesine | Definition date: | 1999-07-08 | Last modified: | 2022-09-26 | Identifier: | 7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
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![5L1 5L1](https://data.pdbj.org/pdbjplus/data/cc/svg/5L1.svg) | 5L1 | Name: | 11,13-bis(fluoranyl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-7$l^{4}-aza-8$l^{4}-platinatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene | Formula: | C29 H24 F2 N7 Pt | SMILES: | Cn1cc[n](c2ccccn2)c1[Pt](c3cc(F)cc(F)c3c4ccccn4)c5n(cc[n]5C)c6ccccn6 | InChi: | InChI=1S/C11H6F2N.2C9H9N3.Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11 | Definition date: | 2021-08-19 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 11,13-bis(fluoranyl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-7$l^{4}-aza-8$l^{4}-platinatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene |
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![WIR WIR](https://data.pdbj.org/pdbjplus/data/cc/svg/WIR.svg) | WIR | Name: | (1R,2S)-1-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2,3-dihydro-1H-inden-2-ol | Formula: | C22 H26 N8 O | SMILES: | CC(C)(C)c1cc(nn1C)Nc1nc(nc2[NH]ncc12)NC1c2ccccc2CC1O | InChi: | InChI=1S/C22H26N8O/c1-22(2,3)16-10-17(29-30(16)4)24-19-14-11-23-28-20(14)27-21(26-19)25-18-13-8-6-5-7-12(13)9-15(18)31/h5-8,10-11,15,18,31H,9H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-,18+/m0/s1 | Definition date: | 2022-09-13 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | (1R,2S)-1-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2,3-dihydro-1H-inden-2-ol |
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