![RU6 RU6](https://data.pdbj.org/pdbjplus/data/cc/svg/RU6.svg) | RU6 | Name: | (3AS,4R,7R,8S,9S,10R,11R,13R,15R,15AR)-4-ETHYL-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-2,6,14-TRIOXO-1-[4-(4-PYRIDIN-3-YL-1H-IMIDAZOL-1-YL)BUTYL]-10-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}TETRADECAHYDRO-2H-OXACYCLOTETRADECINO[4,3-D][1,3]OXAZOL-8-YL 2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-ALPHA-L-RIBO-HEXOPYRANOSIDE | Formula: | C51 H81 N5 O13 | SMILES: | O=C6OC(CC)C3(OC(=O)N(CCCCn1cc(nc1)c2cccnc2)C3C(C(=O)C(C)CC(OC)(C)C(OC4OC(C)CC(N(C)C)C4O)C(C(OC5OC(C(O)C(OC)(C5)C)C)C6C)C)C)C | InChi: | InChI=1S/C51H81N5O13/c1-15-38-51(10)43(56(48(61)69-51)22-17-16-21-55-27-36(53-28-55)35-19-18-20-52-26-35)31(4)40(57)29(2)24-50(9,63-14)45(68-47-41(58)37(54(11)12)23-30(3)64-47)32(5)42(33(6)46(60)66-38)67-39-25-49(8,62-13)44(59)34(7)65-39/h18-20,26-34,37-39,41-45,47,58-59H,15-17,21-25H2,1-14H3/t29-,30-,31+,32+,33-,34+,37+,38-,39+,41-,42+,43-,44+,45-,47+,49-,50-,51-/m1/s1 | Synonyms: | (1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-DIMETHYLAMINO-3-HYDROXY-6-METHYL-OXAN-2-YL]OXY-13-ETHYL-9-[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYL-OXAN-2-YL]OXY-6-METHOXY-2,4,6,8,10,14-HEXAMETHYL-17-[4-(4-PYRIDIN-3-YLIMIDAZOL-1-YL)BUTYL]-12,15-DIOXA-17-AZABICYCLO[12.3.0]HEPTADECANE-3,11,16-TRIONE | Definition date: | 2007-01-17 | Last modified: | 2021-03-13 | Identifier: | (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-1-[4-(4-pyridin-3-yl-1H-imidazol-1-yl)butyl]-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside |
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![RUT RUT](https://data.pdbj.org/pdbjplus/data/cc/svg/RUT.svg) | RUT | Name: | RUTIN | Formula: | C27 H30 O16 | SMILES: | O=C3C(OC1OC(C(O)C(O)C1O)COC2OC(C)C(O)C(O)C2O)=C(Oc4cc(O)cc(O)c34)c5ccc(O)c(O)c5 | InChi: | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 | Synonyms: | 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-CHROMEN-3-YL 6-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE | Definition date: | 2004-01-06 | Last modified: | 2021-03-13 | Identifier: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside |
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![RV5 RV5](https://data.pdbj.org/pdbjplus/data/cc/svg/RV5.svg) | RV5 | Name: | N-1,2,3-Benzothiadiazol-6-yl-N'-[2-oxo-2-(1-piperidinyl)ethyl]urea also called unc-2327 | Formula: | C14 H17 N5 O2 S | SMILES: | O=C(NCC(=O)N1CCCCC1)Nc2ccc3nnsc3c2 | InChi: | InChI=1S/C14H17N5O2S/c20-13(19-6-2-1-3-7-19)9-15-14(21)16-10-4-5-11-12(8-10)22-18-17-11/h4-5,8H,1-3,6-7,9H2,(H2,15,16,21) | Synonyms: | 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)urea | Definition date: | 2020-10-22 | Last modified: | 2021-03-13 | Release date: | 2021-03-03 | Identifier: | 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)urea |
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![RV8 RV8](https://data.pdbj.org/pdbjplus/data/cc/svg/RV8.svg) | RV8 | Name: | Triglycidyl isocyanurate | Formula: | C12 H15 N3 O6 | SMILES: | O=C1N(C[CH]2CO2)C(=O)N(C[CH]3CO3)C(=O)N1C[CH]4CO4 | InChi: | InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2/t7-,8-,9-/m0/s1 | Synonyms: | 1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione | Definition date: | 2020-10-22 | Last modified: | 2021-03-13 | Release date: | 2020-12-02 | Identifier: | 1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione |
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![NGF NGF](https://data.pdbj.org/pdbjplus/data/cc/svg/NGF.svg) | NGF | Name: | 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid | Formula: | C11 H19 N O10 | SMILES: | O=C(O)C(=O)CC(O)C(NC(=O)CO)C(O)C(O)C(O)CO | InChi: | InChI=1S/C11H19NO10/c13-2-6(17)9(19)10(20)8(12-7(18)3-14)4(15)1-5(16)11(21)22/h4,6,8-10,13-15,17,19-20H,1-3H2,(H,12,18)(H,21,22)/t4-,6+,8+,9+,10+/m0/s1 | Synonyms: | N-glycolylneuraminic acid, ketone form | Definition date: | 2013-01-04 | Last modified: | 2021-03-13 | Release date: | 2013-11-06 | Identifier: | 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid |
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![46M 46M](https://data.pdbj.org/pdbjplus/data/cc/svg/46M.svg) | 46M | Name: | (4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-2-CARBOXYLIC ACID | Formula: | C9 H14 O8 | SMILES: | O=C(O)C1(OCC2OC(O)C(O)C(O)C2O1)C | InChi: | InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4-,5+,6-,7-,9+/m1/s1 | Synonyms: | [4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-MANNOSE] | Definition date: | 2005-04-11 | Last modified: | 2021-03-13 | Identifier: | 4,6-O-[(1S)-1-carboxyethylidene]-beta-D-mannopyranose |
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![474 474](https://data.pdbj.org/pdbjplus/data/cc/svg/474.svg) | 474 | Name: | (2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE | Formula: | C22 H30 F2 N6 O2 | SMILES: | FC4(F)CCN(C(=O)C(N)C(C(=O)N(C)C)C3CCC(c1ccc2ncnn2c1)CC3)C4 | InChi: | InChI=1S/C22H30F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h7-8,11,13-15,18-19H,3-6,9-10,12,25H2,1-2H3/t14-,15-,18-,19-/m0/s1 | Synonyms: | 6-(4-{(1S,2S)-2-AMMONIO-3-(3,3-DIFLUOROPYRROLIDIN-1-YL)-1-[(DIMETHYLAMINO)CARBONYL] -3-OXOPROPYL}CYCLOHEXYL)[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-1-IUM | Definition date: | 2007-09-05 | Last modified: | 2021-03-13 | Identifier: | (2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-6-ylcyclohexyl)butanamide |
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![NKN NKN](https://data.pdbj.org/pdbjplus/data/cc/svg/NKN.svg) | NKN | Name: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate | Formula: | C17 H35 O7 P | SMILES: | O=P(OCC(O)COC(=O)CCCCCCCCCCCCC)(O)O | InChi: | InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)/t16-/m1/s1 | Synonyms: | 14:0 LPA | Definition date: | 2010-11-05 | Last modified: | 2021-03-13 | Identifier: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate |
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![497 497](https://data.pdbj.org/pdbjplus/data/cc/svg/497.svg) | 497 | Name: | 6-[AMINO(IMINO)METHYL]-N-[(4R)-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL]-2-NAPHTHAMIDE | Formula: | C23 H24 N4 O | SMILES: | O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc3ccc4c(c3)C(CNC4)CC | InChi: | InChI=1S/C23H24N4O/c1-2-14-12-26-13-19-7-8-20(11-21(14)19)27-23(28)18-6-4-15-9-17(22(24)25)5-3-16(15)10-18/h3-11,14,26H,2,12-13H2,1H3,(H3,24,25)(H,27,28)/t14-/m0/s1 | Synonyms: | 6-[N-(4-ETHYL-1,2,3,4-TETRAHYDRO-6-ISOQUINOLINYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE | Definition date: | 2003-04-09 | Last modified: | 2021-03-13 | Identifier: | 6-carbamimidoyl-N-[(4R)-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl]naphthalene-2-carboxamide |
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![NKO NKO](https://data.pdbj.org/pdbjplus/data/cc/svg/NKO.svg) | NKO | Name: | (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate | Formula: | C19 H39 O7 P | SMILES: | O=P(OCC(O)COC(=O)CCCCCCCCCCCCCCC)(O)O | InChi: | InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1 | Synonyms: | 16:0 LPA | Definition date: | 2010-11-05 | Last modified: | 2021-03-13 | Identifier: | (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate |
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![NKP NKP](https://data.pdbj.org/pdbjplus/data/cc/svg/NKP.svg) | NKP | Name: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate | Formula: | C21 H41 O7 P | SMILES: | O=P(OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC)(O)O | InChi: | InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9+/t20-/m1/s1 | Synonyms: | 18:1 LPA | Definition date: | 2010-11-05 | Last modified: | 2021-03-13 | Identifier: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate |
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![NKR NKR](https://data.pdbj.org/pdbjplus/data/cc/svg/NKR.svg) | NKR | Name: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (4Z,7E,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate | Formula: | C25 H39 O7 P | SMILES: | O=P(OCC(O)COC(=O)CCC=C/C/C=C/C/C=C/CC=C/CC=C/CC=C/CC)(O)O | InChi: | InChI=1S/C25H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h3-4,6-7,9-10,12-13,15-16,18-19,24,26H,2,5,8,11,14,17,20-23H2,1H3,(H2,28,29,30)/b4-3-,7-6-,10-9-,13-12+,16-15+,19-18-/t24-/m1/s1 | Synonyms: | 22:6 LPA | Definition date: | 2010-11-05 | Last modified: | 2021-03-13 | Identifier: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (4Z,7E,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate |
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![4AB 4AB](https://data.pdbj.org/pdbjplus/data/cc/svg/4AB.svg) | 4AB | Name: | 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE | Formula: | C9 H16 N6 O2 | SMILES: | n2c(nc1c(NC(CN1)C(O)C(O)C)c2N)N | InChi: | InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)/t3-,4+,6-/m0/s1 | Synonyms: | 4-AMINO 5,6,7,8-TETRAHYDROBIOPTERIN | Definition date: | 1999-12-16 | Last modified: | 2021-03-13 | Identifier: | (1R,2S)-1-[(6R)-2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl]propane-1,2-diol |
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![NM8 NM8](https://data.pdbj.org/pdbjplus/data/cc/svg/NM8.svg) | NM8 | Name: | 6-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide | Formula: | C33 H29 F3 N4 O4 S | SMILES: | O=C1C(SC(=O)N1)=Cc6oc(c5cc4cccc(C(=O)Nc2cc(cc(c2)CN3CCN(CC)CC3)C(F)(F)F)c4cc5)cc6 | InChi: | InChI=1S/C33H29F3N4O4S/c1-2-39-10-12-40(13-11-39)19-20-14-23(33(34,35)36)17-24(15-20)37-30(41)27-5-3-4-21-16-22(6-8-26(21)27)28-9-7-25(44-28)18-29-31(42)38-32(43)45-29/h3-9,14-18H,2,10-13,19H2,1H3,(H,37,41)(H,38,42,43)/b29-18- | Synonyms: | (Z)-6-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-N-(3-((4-ethylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-1-naphthamide | Definition date: | 2011-01-25 | Last modified: | 2021-03-13 | Identifier: | 6-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide |
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![NPM NPM](https://data.pdbj.org/pdbjplus/data/cc/svg/NPM.svg) | NPM | Name: | N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | Formula: | C25 H20 N4 | SMILES: | N(/c1ccc(cc1)Cc3ccc(/N=C/c2ncccc2)cc3)=Cc4ncccc4 | InChi: | InChI=1S/C25H20N4/c1-3-15-26-24(5-1)18-28-22-11-7-20(8-12-22)17-21-9-13-23(14-10-21)29-19-25-6-2-4-16-27-25/h1-16,18-19H,17H2/b28-18+,29-19+ | Synonyms: | 1,1-BIS(N-(4-PHENYL)-2-PYRIDYLCARBOXALDIMINE)METHANE | Definition date: | 2005-11-30 | Last modified: | 2021-03-13 | Identifier: | 4,4'-methanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline} |
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![NRA NRA](https://data.pdbj.org/pdbjplus/data/cc/svg/NRA.svg) | NRA | Name: | norathyriol | Formula: | C13 H8 O6 | SMILES: | O=C1c3c(Oc2c1c(O)cc(O)c2)cc(O)c(O)c3 | InChi: | InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H | Synonyms: | 1,3,6,7-tetrahydroxy-9H-xanthen-9-one | Definition date: | 2011-06-13 | Last modified: | 2021-03-13 | Identifier: | 1,3,6,7-tetrahydroxy-9H-xanthen-9-one |
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![9Q9 9Q9](https://data.pdbj.org/pdbjplus/data/cc/svg/9Q9.svg) | 9Q9 | Name: | 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | Formula: | C17 H23 F N6 O2 | SMILES: | C=1(NC(c3c(N=1)n(C2CCCC2)nc3)=O)NC(C(=O)N4CCC(F)C4)C | InChi: | InChI=1S/C17H23FN6O2/c1-10(16(26)23-7-6-11(18)9-23)20-17-21-14-13(15(25)22-17)8-19-24(14)12-4-2-3-5-12/h8,10-12H,2-7,9H2,1H3,(H2,20,21,22,25)/t10-,11+/m1/s1 | Synonyms: | 1-cyclopentyl-6-(((R)-1-((S)-3-fluoropyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one | Definition date: | 2018-06-21 | Last modified: | 2021-03-13 | Release date: | 2019-04-10 | Identifier: | 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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![RX8 RX8](https://data.pdbj.org/pdbjplus/data/cc/svg/RX8.svg) | RX8 | Name: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol | Formula: | C17 H22 N4 O2 | SMILES: | n3c1ccccc1c2c(nc(n2CC(O)(C)C)COCC)c3N | InChi: | InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19) | Synonyms: | R848 | Definition date: | 2013-01-22 | Last modified: | 2021-03-13 | Release date: | 2013-04-03 | Identifier: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol |
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![RXR RXR](https://data.pdbj.org/pdbjplus/data/cc/svg/RXR.svg) | RXR | Name: | [2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-yl]oxidanyl radical | Formula: | C10 H18 N O S2 | SMILES: | ON1C(C(=C(CS)C1(C)C)CS)(C)C | InChi: | InChI=1S/C10H19NOS2/c1-9(2)7(5-13)8(6-14)10(3,4)11(9)12/h12-14H,5-6H2,1-4H3 | Synonyms: | 3,4-bis(thiomethyl)-2,2,5,5-tetramethyl-1H-Pyrrol-1-yloxyl radical | Definition date: | 2010-01-08 | Last modified: | 2021-03-13 | Identifier: | 2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-ol |
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![S13 S13](https://data.pdbj.org/pdbjplus/data/cc/svg/S13.svg) | S13 | Name: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | Formula: | C15 H21 N O6 | SMILES: | O1C(C(O)C(O)C(O)C13ONC(c2ccc(cc2)C)C3)CO | InChi: | InChI=1S/C15H21NO6/c1-8-2-4-9(5-3-8)10-6-15(22-16-10)14(20)13(19)12(18)11(7-17)21-15/h2-5,10-14,16-20H,6-7H2,1H3/t10-,11+,12+,13-,14+,15+/m0/s1 | Synonyms: | (1R)-3'-(4-methylphenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | Definition date: | 2007-09-04 | Last modified: | 2021-03-13 | Identifier: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol |
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![9UY 9UY](https://data.pdbj.org/pdbjplus/data/cc/svg/9UY.svg) | 9UY | Name: | 3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | Formula: | C33 H38 N4 O6 | SMILES: | C[CH]1[CH](C=C)C(=NC1=O)Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,19-20,34-35H,1-2,9-15H2,3-6H3,(H,38,39)(H,40,41)/t19-,20-/m1/s1 | Synonyms: | Billeverdin IXa, bound form | Definition date: | 2017-06-13 | Last modified: | 2021-03-13 | Release date: | 2017-06-21 | Identifier: | 3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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![S4N S4N](https://data.pdbj.org/pdbjplus/data/cc/svg/S4N.svg) | S4N | Name: | (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine | Formula: | C24 H32 F2 N6 O2 | SMILES: | C[CH]1CN(CCN1)c2cnc(Nc3cc(F)c(OCC4CC4)c(F)c3)nc2NC5CCOCC5 | InChi: | InChI=1S/C24H32F2N6O2/c1-15-13-32(7-6-27-15)21-12-28-24(31-23(21)29-17-4-8-33-9-5-17)30-18-10-19(25)22(20(26)11-18)34-14-16-2-3-16/h10-12,15-17,27H,2-9,13-14H2,1H3,(H2,28,29,30,31)/t15-/m1/s1 | Synonyms: | ~{N}2-[4-(cyclopropylmethoxy)-3,5-bis(fluoranyl)phenyl]-5-[(3~{R})-3-methylpiperazin-1-yl]-~{N}4-(oxan-4-yl)pyrimidine-2,4-diamine | Definition date: | 2020-11-06 | Last modified: | 2021-03-13 | Release date: | 2021-03-03 | Identifier: | ~{N}2-[4-(cyclopropylmethoxy)-3,5-bis(fluoranyl)phenyl]-5-[(3~{R})-3-methylpiperazin-1-yl]-~{N}4-(oxan-4-yl)pyrimidine-2,4-diamine |
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![S4T S4T](https://data.pdbj.org/pdbjplus/data/cc/svg/S4T.svg) | S4T | Name: | N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide | Formula: | C29 H27 F3 N8 O3 | SMILES: | FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3cc(NC(=O)C4CC4)ncn3)cc2)ccc1CN5CCn6ccnc6C5 | InChi: | InChI=1S/C29H27F3N8O3/c30-29(31,32)23-13-21(4-3-19(23)15-39-11-12-40-10-9-33-25(40)16-39)37-28(42)36-20-5-7-22(8-6-20)43-26-14-24(34-17-35-26)38-27(41)18-1-2-18/h3-10,13-14,17-18H,1-2,11-12,15-16H2,(H2,36,37,42)(H,34,35,38,41) | Synonyms: | ~{N}-[6-[4-[[4-(6,8-dihydro-5~{H}-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide | Definition date: | 2020-11-06 | Last modified: | 2021-03-13 | Release date: | 2021-03-03 | Identifier: | ~{N}-[6-[4-[[4-(6,8-dihydro-5~{H}-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide |
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![S4Z S4Z](https://data.pdbj.org/pdbjplus/data/cc/svg/S4Z.svg) | S4Z | Name: | 2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide | Formula: | C20 H18 Cl F3 N6 O2 S | SMILES: | CNC(=O)c1sc(nc1C(F)(F)F)N2CC3CC2(CNC(=O)c4c[nH]c5ncc(Cl)cc45)C3 | InChi: | InChI=1S/C20H18ClF3N6O2S/c1-25-17(32)13-14(20(22,23)24)29-18(33-13)30-7-9-3-19(30,4-9)8-28-16(31)12-6-27-15-11(12)2-10(21)5-26-15/h2,5-6,9H,3-4,7-8H2,1H3,(H,25,32)(H,26,27)(H,28,31)/t9-,19+ | Synonyms: | 2-[1-[[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonylamino]methyl]-2-azabicyclo[2.1.1]hexan-2-yl]-~{N}-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide | Definition date: | 2020-11-06 | Last modified: | 2021-03-13 | Release date: | 2021-03-03 | Identifier: | 2-[1-[[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonylamino]methyl]-2-azabicyclo[2.1.1]hexan-2-yl]-~{N}-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide |
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![S56 S56](https://data.pdbj.org/pdbjplus/data/cc/svg/S56.svg) | S56 | Name: | (2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide | Formula: | C28 H30 N6 O3 | SMILES: | O=C(C(C#N)Cc3c(c2ccc(Oc1ccccc1)cc2)c4c(n3CCOC)ncnc4N)NC(C)C | InChi: | InChI=1S/C28H30N6O3/c1-18(2)33-28(35)20(16-29)15-23-24(25-26(30)31-17-32-27(25)34(23)13-14-36-3)19-9-11-22(12-10-19)37-21-7-5-4-6-8-21/h4-12,17-18,20H,13-15H2,1-3H3,(H,33,35)(H2,30,31,32)/t20-/m0/s1 | Synonyms: | Rao-IV-156, bound form | Definition date: | 2016-09-28 | Last modified: | 2021-03-13 | Release date: | 2017-09-27 | Identifier: | (2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide |
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