![Y6Z Y6Z](https://data.pdbj.org/pdbjplus/data/cc/svg/Y6Z.svg) | Y6Z | Name: | Antascomicine B | Formula: | C37 H57 N O10 | SMILES: | C[CH]1CC[CH](OC(=O)[CH]2CCCCN2C(=O)C(=O)[C]3(O)O[CH](CC[CH]3C)[CH](C)C(=O)C=CCCC=C1)[CH](C)C[CH]4CC[CH](O)[CH](O)[CH]4O | InChi: | InChI=1S/C37H57NO10/c1-22-11-7-5-6-8-13-28(39)25(4)31-19-15-24(3)37(46,48-31)34(43)35(44)38-20-10-9-12-27(38)36(45)47-30(18-14-22)23(2)21-26-16-17-29(40)33(42)32(26)41/h7-8,11,13,22-27,29-33,40-42,46H,5-6,9-10,12,14-21H2,1-4H3/b11-7+,13-8+/t22-,23+,24+,25-,26-,27-,29+,30-,31-,32-,33-,37+/m0/s1 | Synonyms: | (1R,9S,12S,15S,16E,20E,23R,24S,27R)-1-Hydroxy-15,23,27-trimethyl-12-{(2R)-1-[(1S,2S,3S,4R)-2,3,4-trihydroxycyclohexyl]-2-propanyl}-11,28-dioxa-4-azatricyclo[22.3.1.0~4,9~]octacosa-16,20-diene-2,3,10,22-tetrone | Definition date: | 2023-11-23 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (1~{R},9~{S},12~{S},15~{R},16~{E},20~{E},23~{R},24~{S},27~{R})-15,23,27-trimethyl-1-oxidanyl-12-[(2~{R})-1-[(1~{S},2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)cyclohexyl]propan-2-yl]-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacosa-16,20-diene-2,3,10,22-tetrone |
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![YR5 YR5](https://data.pdbj.org/pdbjplus/data/cc/svg/YR5.svg) | YR5 | Name: | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid | Formula: | C15 H16 F N2 O7 P | SMILES: | Oc1c(CNc2cc(cc(F)c2)C(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C15H16FN2O7P/c1-8-14(19)13(10(5-17-8)7-25-26(22,23)24)6-18-12-3-9(15(20)21)2-11(16)4-12/h2-5,18-19H,6-7H2,1H3,(H,20,21)(H2,22,23,24) | Definition date: | 2023-12-11 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid |
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![V5H V5H](https://data.pdbj.org/pdbjplus/data/cc/svg/V5H.svg) | V5H | Name: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate | Formula: | C45 H85 Br4 O19 P3 | SMILES: | OP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)C(O)C1OP(=O)(O)O | InChi: | InChI=1S/C45H85Br4O19P3/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)63-31-33(65-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2)32-64-71(61,62)68-43-40(52)41(53)44(66-69(55,56)57)45(42(43)54)67-70(58,59)60/h33-37,40-45,52-54H,3-32H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/t33-,34-,35?,36+,37?,40+,41-,42-,43+,44+,45+/m0/s1 | Definition date: | 2023-09-08 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate |
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![ZXT ZXT](https://data.pdbj.org/pdbjplus/data/cc/svg/ZXT.svg) | ZXT | Name: | 5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide | Formula: | C17 H22 N4 O3 S2 | SMILES: | CN(C)[S](=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc3sc(C)cn3 | InChi: | InChI=1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22) | Definition date: | 2023-07-10 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide |
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![ZP2 ZP2](https://data.pdbj.org/pdbjplus/data/cc/svg/ZP2.svg) | ZP2 | Name: | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone | Formula: | C14 H10 F N O6 | SMILES: | COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2 | InChi: | InChI=1S/C14H10FNO6/c1-22-12-5-8(4-11(14(12)19)16(20)21)13(18)7-2-9(15)6-10(17)3-7/h2-6,17,19H,1H3 | Synonyms: | Pharmacokinetically Improved TTR Binder (PITB) | Definition date: | 2023-06-29 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone |
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![VE6 VE6](https://data.pdbj.org/pdbjplus/data/cc/svg/VE6.svg) | VE6 | Name: | 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C16 H10 Br N O4 | SMILES: | Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(Br)ccc23 | InChi: | InChI=1S/C16H10BrNO4/c17-9-1-6-14-12(7-9)13(15(20)16(21)22)8-18(14)10-2-4-11(19)5-3-10/h1-8,19H,(H,21,22) | Synonyms: | 2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid | Definition date: | 2021-05-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![VEO VEO](https://data.pdbj.org/pdbjplus/data/cc/svg/VEO.svg) | VEO | Name: | 5-methoxy-1H-indole-2-carboxylic acid | Formula: | C10 H9 N O3 | SMILES: | COc1ccc2[nH]c(cc2c1)C(O)=O | InChi: | InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13) | Definition date: | 2023-03-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 5-methoxy-1~{H}-indole-2-carboxylic acid |
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![HWF HWF](https://data.pdbj.org/pdbjplus/data/cc/svg/HWF.svg) | HWF | Name: | (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid | Formula: | C13 H17 N O2 | SMILES: | O=C(O)C(Cc1ccccc1)C1CCNC1 | InChi: | InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1 | Synonyms: | LY3353871 | Definition date: | 2023-07-22 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid |
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![VPN VPN](https://data.pdbj.org/pdbjplus/data/cc/svg/VPN.svg) | VPN | Name: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate | Formula: | C45 H83 Br4 O13 P | SMILES: | OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC | InChi: | InChI=1S/C45H83Br4O13P/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)59-31-33(32-60-63(57,58)62-45-43(55)41(53)40(52)42(54)44(45)56)61-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2/h33-37,40-45,52-56H,3-32H2,1-2H3,(H,57,58)/t33-,34-,35?,36+,37?,40-,41-,42+,43+,44+,45-/m0/s1 | Definition date: | 2023-09-15 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate |
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![W4X W4X](https://data.pdbj.org/pdbjplus/data/cc/svg/W4X.svg) | W4X | Name: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C22 H15 N O5 | SMILES: | OC(=O)C(=O)c1cn(c2ccc(O)c(O)c2)c3ccc(cc13)c4ccccc4 | InChi: | InChI=1S/C22H15NO5/c24-19-9-7-15(11-20(19)25)23-12-17(21(26)22(27)28)16-10-14(6-8-18(16)23)13-4-2-1-3-5-13/h1-12,24-25H,(H,27,28) | Definition date: | 2023-04-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![W52 W52](https://data.pdbj.org/pdbjplus/data/cc/svg/W52.svg) | W52 | Name: | 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C22 H15 N O4 | SMILES: | Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(ccc23)c4ccccc4 | InChi: | InChI=1S/C22H15NO4/c24-17-9-7-16(8-10-17)23-13-19(21(25)22(26)27)18-12-15(6-11-20(18)23)14-4-2-1-3-5-14/h1-13,24H,(H,26,27) | Definition date: | 2023-04-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![W5E W5E](https://data.pdbj.org/pdbjplus/data/cc/svg/W5E.svg) | W5E | Name: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C22 H15 N O6 | SMILES: | Oc1cccc(c1)c2ccc3n(cc(C(=O)C(O)=O)c3c2)c4ccc(O)c(O)c4 | InChi: | InChI=1S/C22H15NO6/c24-15-3-1-2-12(8-15)13-4-6-18-16(9-13)17(21(27)22(28)29)11-23(18)14-5-7-19(25)20(26)10-14/h1-11,24-26H,(H,28,29) | Definition date: | 2023-04-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![4Q8 4Q8](https://data.pdbj.org/pdbjplus/data/cc/svg/4Q8.svg) | 4Q8 | Name: | 5-methyl-1-(phenylmethyl)imidazole | Formula: | C11 H12 N2 | SMILES: | Cc1cncn1Cc2ccccc2 | InChi: | InChI=1S/C11H12N2/c1-10-7-12-9-13(10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3 | Definition date: | 2023-01-09 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 5-methyl-1-(phenylmethyl)imidazole |
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![WCW WCW](https://data.pdbj.org/pdbjplus/data/cc/svg/WCW.svg) | WCW | Name: | 4-azanyl-1-phenyl-piperidine-4-carboxylic acid | Formula: | C12 H16 N2 O2 | SMILES: | NC1(CCN(CC1)c2ccccc2)C(O)=O | InChi: | InChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16) | Definition date: | 2023-05-12 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-azanyl-1-phenyl-piperidine-4-carboxylic acid |
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![WD2 WD2](https://data.pdbj.org/pdbjplus/data/cc/svg/WD2.svg) | WD2 | Name: | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine | Formula: | C10 H12 F3 N3 | SMILES: | FC(F)(F)c1ccnc(c1)N2CCNCC2 | InChi: | InChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-15-9(7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2 | Definition date: | 2023-05-12 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine |
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![WD5 WD5](https://data.pdbj.org/pdbjplus/data/cc/svg/WD5.svg) | WD5 | Name: | 4-(4-chlorophenyl)piperidin-4-ol | Formula: | C11 H14 Cl N O | SMILES: | OC1(CCNCC1)c2ccc(Cl)cc2 | InChi: | InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2 | Definition date: | 2023-05-12 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-(4-chlorophenyl)piperidin-4-ol |
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![WNO WNO](https://data.pdbj.org/pdbjplus/data/cc/svg/WNO.svg) | WNO | Name: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine | Formula: | C15 H18 N4 | SMILES: | CCN1CCN[CH]1c2cccc(n2)c3ccccn3 | InChi: | InChI=1S/C15H18N4/c1-2-19-11-10-17-15(19)14-8-5-7-13(18-14)12-6-3-4-9-16-12/h3-9,15,17H,2,10-11H2,1H3/t15-/m1/s1 | Definition date: | 2023-10-09 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine |
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![A1AJ8 A1AJ8](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJ8.svg) | A1AJ8 | Name: | (3-fluorophenyl)(piperazin-1-yl)methanone | Formula: | C11 H13 F N2 O | SMILES: | O=C(c1cccc(F)c1)N1CCNCC1 | InChi: | InChI=1S/C11H13FN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (3-fluorophenyl)(piperazin-1-yl)methanone |
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![A1AJ9 A1AJ9](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJ9.svg) | A1AJ9 | Name: | 4-methoxy-2-(piperazin-1-yl)pyrimidine | Formula: | C9 H14 N4 O | SMILES: | COc1nc(ncc1)N1CCNCC1 | InChi: | InChI=1S/C9H14N4O/c1-14-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-methoxy-2-(piperazin-1-yl)pyrimidine |
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![A1AJQ A1AJQ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJQ.svg) | A1AJQ | Name: | 4-(piperazin-1-yl)quinoline | Formula: | C13 H15 N3 | SMILES: | c1cc(c2ccccc2n1)N1CCNCC1 | InChi: | InChI=1S/C13H15N3/c1-2-4-12-11(3-1)13(5-6-15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-(piperazin-1-yl)quinoline |
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![A1AJR A1AJR](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJR.svg) | A1AJR | Name: | 1,2,3,4-tetrahydro-1,5-naphthyridine | Formula: | C8 H10 N2 | SMILES: | c1ccnc2CCCNc12 | InChi: | InChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,5,10H,2,4,6H2 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 1,2,3,4-tetrahydro-1,5-naphthyridine |
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![A1AJV A1AJV](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJV.svg) | A1AJV | Name: | 3-ethenyl-1,2-dimethyl-pyrazole | Formula: | C7 H11 N2 | SMILES: | C[n+]1ccc(C=C)n1C | InChi: | InChI=1S/C7H11N2/c1-4-7-5-6-8(2)9(7)3/h4-6H,1H2,2-3H3/q+1 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 5-ethenyl-1,2-dimethyl-1H-pyrazol-2-ium |
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![A1AJY A1AJY](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJY.svg) | A1AJY | Name: | 3-ethenyl-1-methyl-pyridine | Formula: | C8 H10 N | SMILES: | C[n+]1cccc(C=C)c1 | InChi: | InChI=1S/C8H10N/c1-3-8-5-4-6-9(2)7-8/h3-7H,1H2,2H3/q+1 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 3-ethenyl-1-methylpyridin-1-ium |
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![A1AJZ A1AJZ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJZ.svg) | A1AJZ | Name: | 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one | Formula: | C6 H10 N2 O2 | SMILES: | OCCC=1C(=O)NNC=1C | InChi: | InChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h9H,2-3H2,1H3,(H2,7,8,10) | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one |
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![A1AKA A1AKA](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AKA.svg) | A1AKA | Name: | (8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine | Formula: | C7 H11 N3 | SMILES: | Cc1cnn2CCNCc12 | InChi: | InChI=1S/C7H11N3/c1-6-4-9-10-3-2-8-5-7(6)10/h4,8H,2-3,5H2,1H3 | Definition date: | 2024-04-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine |
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