![USE USE](https://data.pdbj.org/pdbjplus/data/cc/svg/USE.svg) | USE | Name: | Orientin | Formula: | C21 H20 O11 | SMILES: | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccc(O)c(O)c4 | InChi: | InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1 | Synonyms: | 2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one | Definition date: | 2021-03-12 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one |
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![UTG UTG](https://data.pdbj.org/pdbjplus/data/cc/svg/UTG.svg) | UTG | Name: | N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea | Formula: | C12 H11 Cl N2 O S | SMILES: | c1cccc(c1NC(NCc2ccco2)=S)Cl | InChi: | InChI=1S/C12H11ClN2OS/c13-10-5-1-2-6-11(10)15-12(17)14-8-9-4-3-7-16-9/h1-7H,8H2,(H2,14,15,17) | Definition date: | 2020-06-01 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea |
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![V4W V4W](https://data.pdbj.org/pdbjplus/data/cc/svg/V4W.svg) | V4W | Name: | 4-deoxy-L-erythro-hex-5-ulosuronic acid | Formula: | C6 H8 O6 | SMILES: | O[CH](CC(=O)C(O)=O)[CH](O)C=O | InChi: | InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1 | Synonyms: | (4S,5S)-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid | Definition date: | 2021-04-13 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | (4~{S},5~{S})-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid |
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![V8A V8A](https://data.pdbj.org/pdbjplus/data/cc/svg/V8A.svg) | V8A | Name: | 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone | Formula: | C42 H60 N8 O8 | SMILES: | C(CCN1CCOCC1)N2C(=O)c7c6c(C2=O)cc(NCCCN3CCOCC3)c5C(=O)N(CCCN4CCOCC4)C(c(c56)cc7NCCCN8CCOCC8)=O | InChi: | InChI=1S/C42H60N8O8/c51-39-31-29-33(43-5-1-7-45-13-21-55-22-14-45)37-35-32(40(52)49(41(37)53)11-3-9-47-17-25-57-26-18-47)30-34(44-6-2-8-46-15-23-56-24-16-46)38(36(31)35)42(54)50(39)12-4-10-48-19-27-58-28-20-48/h29-30,43-44H,1-28H2 | Definition date: | 2020-07-14 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone |
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![V8B V8B](https://data.pdbj.org/pdbjplus/data/cc/svg/V8B.svg) | V8B | Name: | 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one | Formula: | C17 H18 N2 O2 | SMILES: | Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O | InChi: | InChI=1S/C17H18N2O2/c1-11-4-9-15-16(20)18-14(10-19(11)15)12-5-7-13(8-6-12)17(2,3)21/h4-9,21H,10H2,1-3H3 | Definition date: | 2021-04-28 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one |
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![V9B V9B](https://data.pdbj.org/pdbjplus/data/cc/svg/V9B.svg) | V9B | Name: | N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide | Formula: | C9 H12 N2 O2 | SMILES: | CCC(=O)c1c[nH]c(c1)C(=O)NC | InChi: | InChI=1S/C9H12N2O2/c1-3-8(12)6-4-7(11-5-6)9(13)10-2/h4-5,11H,3H2,1-2H3,(H,10,13) | Synonyms: | N-methyl-4-propionyl-1H-pyrrole-2-carboxamide | Definition date: | 2021-05-01 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | ~{N}-methyl-4-propanoyl-1~{H}-pyrrole-2-carboxamide |
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![V9H V9H](https://data.pdbj.org/pdbjplus/data/cc/svg/V9H.svg) | V9H | Name: | 3N-methyl-5N-(4-oxidanylcyclohexyl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide | Formula: | C20 H26 N4 O3 | SMILES: | CNC(=O)c1cc(n(n1)[CH](C)c2ccccc2)C(=O)N[CH]3CC[CH](O)CC3 | InChi: | InChI=1S/C20H26N4O3/c1-13(14-6-4-3-5-7-14)24-18(12-17(23-24)19(26)21-2)20(27)22-15-8-10-16(25)11-9-15/h3-7,12-13,15-16,25H,8-11H2,1-2H3,(H,21,26)(H,22,27)/t13-,15-,16-/m0/s1 | Synonyms: | N5-((1r,4S)-4-hydroxycyclohexyl)-N3-methyl-1-((S)-1-phenylethyl)-1H-pyrazole-3,5-dicarboxamide | Definition date: | 2021-05-01 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | ~{N}3-methyl-~{N}5-(4-oxidanylcyclohexyl)-1-[(1~{S})-1-phenylethyl]pyrazole-3,5-dicarboxamide |
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![V9K V9K](https://data.pdbj.org/pdbjplus/data/cc/svg/V9K.svg) | V9K | Name: | 2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide | Formula: | C21 H26 N2 O4 | SMILES: | CNC(=O)c1oc([CH](C)c2ccccc2)c(c1)C(=O)N[CH]3CC[CH](O)CC3 | InChi: | InChI=1S/C21H26N2O4/c1-13(14-6-4-3-5-7-14)19-17(12-18(27-19)21(26)22-2)20(25)23-15-8-10-16(24)11-9-15/h3-7,12-13,15-16,24H,8-11H2,1-2H3,(H,22,26)(H,23,25)/t13-,15-,16-/m0/s1 | Synonyms: | N4-hydroxycyclohexyl-N2-methyl-5-phenylethyl-furan-2,4-dicarboxamide | Definition date: | 2021-05-01 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | ~{N}2-methyl-~{N}4-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethyl]furan-2,4-dicarboxamide |
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![V9N V9N](https://data.pdbj.org/pdbjplus/data/cc/svg/V9N.svg) | V9N | Name: | (3S)-N7,3-dimethyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide | Formula: | C23 H24 N2 O4 | SMILES: | CNC(=O)c1cc(cc2c1OC[C]2(C)c3ccccc3)C(=O)NC4[CH]5COC[CH]45 | InChi: | InChI=1S/C23H24N2O4/c1-23(14-6-4-3-5-7-14)12-29-20-15(22(27)24-2)8-13(9-18(20)23)21(26)25-19-16-10-28-11-17(16)19/h3-9,16-17,19H,10-12H2,1-2H3,(H,24,27)(H,25,26)/t16-,17+,19+,23-/m0/s1 | Synonyms: | rac-N5-((1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl)-N7,3-dimethyl-3-phenyl-2,3-dihydrobenzofuran-5,7-dicarboxamide | Definition date: | 2021-05-02 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | (3~{S})-~{N}7,3-dimethyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2~{H}-1-benzofuran-5,7-dicarboxamide |
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![V9Q V9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/V9Q.svg) | V9Q | Name: | (3S)-3-(1H-indol-4-yl)-N7-methyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide | Formula: | C24 H23 N3 O4 | SMILES: | CNC(=O)c1cc(cc2[CH](COc12)c3cccc4[nH]ccc34)C(=O)NC5[CH]6COC[CH]56 | InChi: | InChI=1S/C24H23N3O4/c1-25-24(29)16-8-12(23(28)27-21-18-9-30-10-19(18)21)7-15-17(11-31-22(15)16)13-3-2-4-20-14(13)5-6-26-20/h2-8,17-19,21,26H,9-11H2,1H3,(H,25,29)(H,27,28)/t17-,18-,19+,21+/m0/s1 | Synonyms: | N5-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-3-(1H-indol-4-yl)-N7-methyl-2,3-dihydrobenzofuran-5,7-dicarboxamide | Definition date: | 2021-05-02 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | (3~{S})-3-(1~{H}-indol-4-yl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide |
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![VCD VCD](https://data.pdbj.org/pdbjplus/data/cc/svg/VCD.svg) | VCD | Name: | 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole | Formula: | C21 H24 N4 O3 S | SMILES: | C5OCC(C)N(c4cc(C1(S(C)(=O)=O)CC1)nc(c2cccc3c2ccn3)n4)C5 | InChi: | InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1 | Definition date: | 2020-07-27 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole |
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![VE5 VE5](https://data.pdbj.org/pdbjplus/data/cc/svg/VE5.svg) | VE5 | Name: | N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide | Formula: | C16 H18 N4 O2 | SMILES: | CNC(=O)c1cc(n(Cc2ccccc2)n1)C(=O)NC3CC3 | InChi: | InChI=1S/C16H18N4O2/c1-17-15(21)13-9-14(16(22)18-12-7-8-12)20(19-13)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,17,21)(H,18,22) | Synonyms: | 1-benzyl-N5-cyclopropyl-N3-methyl-1H-pyrazole-3,5-dicarboxamide | Definition date: | 2021-05-07 | Last modified: | 2021-07-23 | Release date: | 2021-07-28 | Identifier: | ~{N}5-cyclopropyl-~{N}3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide |
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![PDU PDU](https://data.pdbj.org/pdbjplus/data/cc/svg/PDU.svg) | PDU | Name: | 5(1-PROPYNYL)-2'-DEOXYURIDINE-5-MONOPHOSPHATE | Formula: | C12 H15 N2 O8 P | SMILES: | CC#CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O | InChi: | InChI=1S/C12H15N2O8P/c1-2-3-7-5-14(12(17)13-11(7)16)10-4-8(15)9(22-10)6-21-23(18,19)20/h5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9+,10+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2021-07-21 | Identifier: | [(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)-5-prop-1-ynyl-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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![YWJ YWJ](https://data.pdbj.org/pdbjplus/data/cc/svg/YWJ.svg) | YWJ | Name: | 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | Formula: | C25 H34 N4 O5 | SMILES: | COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCCNC1=O)C(C)=O | InChi: | InChI=1S/C25H34N4O5/c1-14(2)11-20(24(32)28-19(15(3)30)12-16-7-6-10-26-23(16)31)29-25(33)21-13-17-18(27-21)8-5-9-22(17)34-4/h5,8-9,13-14,16,19-20,27H,6-7,10-12H2,1-4H3,(H,26,31)(H,28,32)(H,29,33)/t16-,19-,20-/m0/s1 | Definition date: | 2021-04-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide |
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![ZQS ZQS](https://data.pdbj.org/pdbjplus/data/cc/svg/ZQS.svg) | ZQS | Name: | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine | Formula: | C14 H15 N5 S2 | SMILES: | NC1=NC2(CN(CC2CS1)c1ncccn1)c1cccs1 | InChi: | InChI=1S/C14H15N5S2/c15-12-18-14(11-3-1-6-20-11)9-19(7-10(14)8-21-12)13-16-4-2-5-17-13/h1-6,10H,7-9H2,(H2,15,18)/t10-,14-/m0/s1 | Definition date: | 2021-05-21 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine |
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![ZR7 ZR7](https://data.pdbj.org/pdbjplus/data/cc/svg/ZR7.svg) | ZR7 | Name: | N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide | Formula: | C22 H20 F2 N8 O2 S | SMILES: | COc1ncc(nc1)C(=O)Nc1cc(c(F)cc1)C12N=C(N)SCC2CN(C1)c1ncc(F)cn1 | InChi: | InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1 | Definition date: | 2021-05-24 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide |
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![X0Y X0Y](https://data.pdbj.org/pdbjplus/data/cc/svg/X0Y.svg) | X0Y | Name: | 1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione | Formula: | C8 H9 N3 O2 | SMILES: | C1(N(C(=O)N(c2c1cnc2)C)C)=O | InChi: | InChI=1S/C8H9N3O2/c1-10-6-4-9-3-5(6)7(12)11(2)8(10)13/h3-4,9H,1-2H3 | Definition date: | 2020-11-20 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
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![FN7 FN7](https://data.pdbj.org/pdbjplus/data/cc/svg/FN7.svg) | FN7 | Name: | 2,4,6-trimethylpyridine-3-carboxylic acid | Formula: | C9 H11 N O2 | SMILES: | OC(=O)c1c(C)cc(C)nc1C | InChi: | InChI=1S/C9H11NO2/c1-5-4-6(2)10-7(3)8(5)9(11)12/h4H,1-3H3,(H,11,12) | Definition date: | 2021-04-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 2,4,6-trimethylpyridine-3-carboxylic acid |
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![0G3 0G3](https://data.pdbj.org/pdbjplus/data/cc/svg/0G3.svg) | 0G3 | Name: | N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide | Formula: | C32 H29 F N6 O2 S | SMILES: | CCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3cc(ccn3)c4n(C)c(SC)nc4c5ccc(F)cc5)cc2 | InChi: | InChI=1S/C32H29FN6O2S/c1-4-28(40)36-26-7-5-6-22(18-26)31(41)37-25-14-12-24(13-15-25)35-27-19-21(16-17-34-27)30-29(38-32(42-3)39(30)2)20-8-10-23(33)11-9-20/h5-19H,4H2,1-3H3,(H,34,35)(H,36,40)(H,37,41) | Definition date: | 2021-06-05 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{N}-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide |
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![G0R G0R](https://data.pdbj.org/pdbjplus/data/cc/svg/G0R.svg) | G0R | Name: | N-(4-carbamimidamidobutyl)ethanamide | Formula: | C7 H16 N4 O | SMILES: | CC(=O)NCCCCNC(N)=N | InChi: | InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11) | Definition date: | 2020-07-14 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | ~{N}-(4-carbamimidamidobutyl)ethanamide |
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![2XI 2XI](https://data.pdbj.org/pdbjplus/data/cc/svg/2XI.svg) | 2XI | Name: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide | Formula: | C24 H33 N3 O3 | SMILES: | C[CH](O)C(=O)N([CH](C(=O)NC(C)(C)C)c1cccnc1)c2ccc(cc2)C(C)(C)C | InChi: | InChI=1S/C24H33N3O3/c1-16(28)22(30)27(19-12-10-18(11-13-19)23(2,3)4)20(17-9-8-14-25-15-17)21(29)26-24(5,6)7/h8-16,20,28H,1-7H3,(H,26,29)/t16-,20-/m1/s1 | Definition date: | 2021-07-09 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide |
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![LKH LKH](https://data.pdbj.org/pdbjplus/data/cc/svg/LKH.svg) | LKH | Name: | 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid | Formula: | C16 H11 Cl N4 O2 S | SMILES: | OC(=O)c1ccc(cc1)C=NN2C(=S)NN=C2c3ccc(Cl)cc3 | InChi: | InChI=1S/C16H11ClN4O2S/c17-13-7-5-11(6-8-13)14-19-20-16(24)21(14)18-9-10-1-3-12(4-2-10)15(22)23/h1-9H,(H,20,24)(H,22,23)/b18-9+ | Definition date: | 2019-08-21 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid |
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![LKW LKW](https://data.pdbj.org/pdbjplus/data/cc/svg/LKW.svg) | LKW | Name: | 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid | Formula: | C22 H17 N3 O4 | SMILES: | CCc1ccc(cc1)c2[nH]nc3nc(cc(C(O)=O)c23)c4ccc(cc4)C(O)=O | InChi: | InChI=1S/C22H17N3O4/c1-2-12-3-5-14(6-4-12)19-18-16(22(28)29)11-17(23-20(18)25-24-19)13-7-9-15(10-8-13)21(26)27/h3-11H,2H2,1H3,(H,26,27)(H,28,29)(H,23,24,25) | Definition date: | 2019-08-22 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
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![QP2 QP2](https://data.pdbj.org/pdbjplus/data/cc/svg/QP2.svg) | QP2 | Name: | (4R,5S)-3-{[(3S,5S)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid | Formula: | C16 H28 N4 O7 S | SMILES: | C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](CNC(N)(O)O)C2)[CH]1C)C(O)=O)C(O)=O | InChi: | InChI=1S/C16H28N4O7S/c1-6-11(10(7(2)21)14(22)23)20-12(15(24)25)13(6)28-9-3-8(18-5-9)4-19-16(17,26)27/h6-11,18-21,26-27H,3-5,17H2,1-2H3,(H,22,23)(H,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1 | Synonyms: | hydrolyzed doripenem | Definition date: | 2020-07-14 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (4R,5S)-3-{[(3S,5S)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
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![HU3 HU3](https://data.pdbj.org/pdbjplus/data/cc/svg/HU3.svg) | HU3 | Name: | (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol | Formula: | C14 H18 Br N3 O | SMILES: | O[CH]1CCCC[CH]1CNc2cc(Br)cc3[nH]ncc23 | InChi: | InChI=1S/C14H18BrN3O/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19/h5-6,8-9,14,16,19H,1-4,7H2,(H,17,18)/t9-,14+/m1/s1 | Definition date: | 2021-02-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol |
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