![V1S V1S](https://data.pdbj.org/pdbjplus/data/cc/svg/V1S.svg) | V1S | Name: | (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide | Formula: | C28 H38 F N5 O3 | SMILES: | N#Cc1c(nc(n1)c2ccc(cc2)F)C(NC(C4C3(CCN(C)CC3)C4)=O)CCCCCC(CC)(O)O | InChi: | InChI=1S/C28H38FN5O3/c1-3-28(36,37)12-6-4-5-7-22(32-26(35)21-17-27(21)13-15-34(2)16-14-27)24-23(18-30)31-25(33-24)19-8-10-20(29)11-9-19/h8-11,21-22,36-37H,3-7,12-17H2,1-2H3,(H,31,33)(H,32,35)/t21-,22+/m1/s1 | Definition date: | 2020-06-15 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide |
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![V27 V27](https://data.pdbj.org/pdbjplus/data/cc/svg/V27.svg) | V27 | Name: | 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one | Formula: | C28 H30 F6 N2 O3 | SMILES: | OC(C(F)(F)F)(c1ccc(cc1)C2C(CN(C2)C(C3CCN(C(=O)C)CC3)=O)(c4ccccc4)C)C(F)(F)F | InChi: | InChI=1S/C28H30F6N2O3/c1-18(37)35-14-12-20(13-15-35)24(38)36-16-23(25(2,17-36)21-6-4-3-5-7-21)19-8-10-22(11-9-19)26(39,27(29,30)31)28(32,33)34/h3-11,20,23,39H,12-17H2,1-2H3/t23-,25+/m0/s1 | Definition date: | 2020-06-17 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one |
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![OGH OGH](https://data.pdbj.org/pdbjplus/data/cc/svg/OGH.svg) | OGH | Name: | 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine | Formula: | C21 H21 F N8 O | SMILES: | CNc1cc(F)cc2c1[nH]c3nc(Oc4cnc(C)nc4)nc(N5C[CH]6C(N)[CH]6C5)c23 | InChi: | InChI=1S/C21H21FN8O/c1-9-25-5-11(6-26-9)31-21-28-19-16(12-3-10(22)4-15(24-2)18(12)27-19)20(29-21)30-7-13-14(8-30)17(13)23/h3-6,13-14,17,24H,7-8,23H2,1-2H3,(H,27,28,29)/t13-,14+,17+ | Definition date: | 2020-03-05 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine |
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![OQ2 OQ2](https://data.pdbj.org/pdbjplus/data/cc/svg/OQ2.svg) | OQ2 | Name: | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide | Formula: | C33 H40 F3 N7 O3 | SMILES: | CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F | InChi: | InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m1/s1 | Definition date: | 2020-03-27 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide |
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![OQ8 OQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/OQ8.svg) | OQ8 | Name: | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide | Formula: | C33 H40 F3 N7 O3 | SMILES: | CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F | InChi: | InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m0/s1 | Definition date: | 2020-03-27 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide |
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![8QX 8QX](https://data.pdbj.org/pdbjplus/data/cc/svg/8QX.svg) | 8QX | Name: | 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one | Formula: | C23 H26 Br F N4 O2 | SMILES: | CC(C)N1CCC[CH](C1)CN2C(=Nc3ccc(Oc4ccc(Br)cc4F)nc3C2=O)C | InChi: | InChI=1S/C23H26BrFN4O2/c1-14(2)28-10-4-5-16(12-28)13-29-15(3)26-19-7-9-21(27-22(19)23(29)30)31-20-8-6-17(24)11-18(20)25/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3/t16-/m0/s1 | Definition date: | 2017-08-28 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one |
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![DL9 DL9](https://data.pdbj.org/pdbjplus/data/cc/svg/DL9.svg) | DL9 | Name: | (E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol | Formula: | C31 H35 N O2 | SMILES: | OCCCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(cc3)C4CCN(CC4)C5CC5 | InChi: | InChI=1S/C31H35NO2/c33-22-4-7-30(25-5-2-1-3-6-25)31(27-12-16-29(34)17-13-27)26-10-8-23(9-11-26)24-18-20-32(21-19-24)28-14-15-28/h1-3,5-6,8-13,16-17,24,28,33-34H,4,7,14-15,18-22H2/b31-30+ | Definition date: | 2019-08-13 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | 4-[(~{E})-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-oxidanyl-2-phenyl-pent-1-enyl]phenol |
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![2TI 2TI](https://data.pdbj.org/pdbjplus/data/cc/svg/2TI.svg) | 2TI | Name: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid | Formula: | C14 H26 N2 O11 P2 | SMILES: | CCNC(=O)[CH](CC[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O)NC(C)=O | InChi: | InChI=1S/C14H26N2O11P2/c1-3-15-13(20)11(16-9(2)17)6-7-28(23,27-29(24,25)26)8-10(14(21)22)4-5-12(18)19/h10-11H,3-8H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)(H2,24,25,26)/t10-,11-,28+/m1/s1 | Definition date: | 2020-03-03 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid |
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![KY3 KY3](https://data.pdbj.org/pdbjplus/data/cc/svg/KY3.svg) | KY3 | Name: | (1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid | Formula: | C13 H18 O4 S | SMILES: | CO[CH]1C[CH](OC)[CH](C[CH]1C(O)=O)c2sccc2 | InChi: | InChI=1S/C13H18O4S/c1-16-10-7-11(17-2)9(13(14)15)6-8(10)12-4-3-5-18-12/h3-5,8-11H,6-7H2,1-2H3,(H,14,15)/t8-,9+,10+,11+/m1/s1 | Definition date: | 2019-11-27 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 | Identifier: | (1~{S},2~{S},4~{S},5~{R})-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid |
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![F4O F4O](https://data.pdbj.org/pdbjplus/data/cc/svg/F4O.svg) | F4O | Name: | 6-methoxy-streptovaricin C | Formula: | C40 H53 N O14 | SMILES: | COC(=O)[CH]1[CH](O)[CH](C)[CH](O)[CH](C)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c(O)c(C)c(OC)c3C(=O)C(=C[C](C)(O)[CH](O)[CH](C)[CH]1O)C)c2O | InChi: | InChI=1S/C40H53NO14/c1-16-13-12-14-17(2)38(50)41-28-19(4)36(55-23(8)42)24-25(34(28)48)32(46)21(6)35(53-10)26(24)30(44)18(3)15-40(9,52)37(49)22(7)33(47)27(39(51)54-11)31(45)20(5)29(16)43/h12-16,20,22,27,29,31,33,37,43,45-49,52H,1-11H3,(H,41,50)/b13-12-,17-14+,18-15+/t16-,20-,22+,27-,29-,31-,33-,37+,40-/m1/s1 | Definition date: | 2020-03-24 | Last modified: | 2020-08-07 | Release date: | 2020-08-12 |
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![ZVP ZVP](https://data.pdbj.org/pdbjplus/data/cc/svg/ZVP.svg) | ZVP | Name: | 7-[7-oxo-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide | Formula: | C26 H24 N4 O5 S | SMILES: | C6Oc1c(cc(cc1C(NCc2cnccc2)=O)c5c4c(C(C=C(N3CCNCC3)O4)=O)sc5)OC6 | InChi: | InChI=1S/C26H24N4O5S/c31-20-12-22(30-6-4-27-5-7-30)35-24-19(15-36-25(20)24)17-10-18(23-21(11-17)33-8-9-34-23)26(32)29-14-16-2-1-3-28-13-16/h1-3,10-13,15,27H,4-9,14H2,(H,29,32) | Definition date: | 2020-06-01 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 7-[7-oxo-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide |
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![TKG TKG](https://data.pdbj.org/pdbjplus/data/cc/svg/TKG.svg) | TKG | Name: | 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone | Formula: | C10 H9 N5 O3 | SMILES: | C(C)(NC1=Nc2c(C(=O)N1)nc(cn2)C(C)=O)=O | InChi: | InChI=1S/C10H9N5O3/c1-4(16)6-3-11-8-7(13-6)9(18)15-10(14-8)12-5(2)17/h3H,1-2H3,(H2,11,12,14,15,17,18) | Definition date: | 2020-03-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | N-(6-acetyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide |
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![V7A V7A](https://data.pdbj.org/pdbjplus/data/cc/svg/V7A.svg) | V7A | Name: | Sarecycline | Formula: | C24 H29 N3 O8 | SMILES: | c1(ccc(O)c2c1CC3C(C2=O)=C(O)C4(C(C3)C(C(=C(C4=O)C(N)=O)O)N(C)C)O)CN(C)OC | InChi: | InChI=1S/C24H29N3O8/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33/h5-6,11,13,18,28,30-31,34H,7-9H2,1-4H3,(H2,25,33)/t11-,13-,18-,24-/m0/s1 | Definition date: | 2020-07-10 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-7-{[methoxy(methyl)amino]methyl}-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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![NU2 NU2](https://data.pdbj.org/pdbjplus/data/cc/svg/NU2.svg) | NU2 | Name: | (3~{R},6~{R})-6-[(2~{S})-butan-2-yl]-3-(2,3-dihydro-1~{H}-inden-2-yl)-1-[(1~{R})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione | Formula: | C27 H34 N4 O5 | SMILES: | CC[CH](C)[CH]1N([CH](C(=O)N2CCOCC2)c3coc(C)n3)C(=O)[CH](NC1=O)C4Cc5ccccc5C4 | InChi: | InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1 | Definition date: | 2019-12-13 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (3~{R},6~{R})-6-[(2~{S})-butan-2-yl]-3-(2,3-dihydro-1~{H}-inden-2-yl)-1-[(1~{R})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione |
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![UT4 UT4](https://data.pdbj.org/pdbjplus/data/cc/svg/UT4.svg) | UT4 | Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one | Formula: | C19 H18 N2 O4 S | SMILES: | C2(C=C(N1CCNCC1)Oc3c2scc3c5ccc4OCCOc4c5)=O | InChi: | InChI=1S/C19H18N2O4S/c22-14-10-17(21-5-3-20-4-6-21)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11,20H,3-8H2 | Definition date: | 2020-06-01 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one |
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![R74 R74](https://data.pdbj.org/pdbjplus/data/cc/svg/R74.svg) | R74 | Name: | N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide | Formula: | C18 H19 N3 O4 S | SMILES: | O=C(C(CS)NC(Cc2ccc1OCOc1c2)=O)NCc3ccncc3 | InChi: | InChI=1S/C18H19N3O4S/c22-17(8-13-1-2-15-16(7-13)25-11-24-15)21-14(10-26)18(23)20-9-12-3-5-19-6-4-12/h1-7,14,26H,8-11H2,(H,20,23)(H,21,22)/t14-/m0/s1 | Definition date: | 2020-02-04 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide |
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![R7D R7D](https://data.pdbj.org/pdbjplus/data/cc/svg/R7D.svg) | R7D | Name: | N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide | Formula: | C18 H18 F3 N3 O3 S | SMILES: | SCC(C(NCc1ncccc1)=O)NC(C(c2ccc(cc2)C(F)(F)F)O)=O | InChi: | InChI=1S/C18H18F3N3O3S/c19-18(20,21)12-6-4-11(5-7-12)15(25)17(27)24-14(10-28)16(26)23-9-13-3-1-2-8-22-13/h1-8,14-15,25,28H,9-10H2,(H,23,26)(H,24,27)/t14-,15+/m0/s1 | Definition date: | 2020-02-04 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide |
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![X47 X47](https://data.pdbj.org/pdbjplus/data/cc/svg/X47.svg) | X47 | Name: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide | Formula: | C26 H31 N5 O2 | SMILES: | C(=O)(c1ncnc1)N(c2ccc(C(C)(C)C)cc2)C(c3cccnc3)C(NC4CCCC4)=O | InChi: | InChI=1S/C26H31N5O2/c1-26(2,3)19-10-12-21(13-11-19)31(25(33)22-16-28-17-29-22)23(18-7-6-14-27-15-18)24(32)30-20-8-4-5-9-20/h6-7,10-17,20,23H,4-5,8-9H2,1-3H3,(H,28,29)(H,30,32)/t23-/m1/s1 | Definition date: | 2020-03-31 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide |
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![VBY VBY](https://data.pdbj.org/pdbjplus/data/cc/svg/VBY.svg) | VBY | Name: | 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide | Formula: | C23 H22 N2 O2 | SMILES: | C(c1c(ccc(c1)NC(C=C)=O)C)(NC(c3cccc2c3cccc2)C)=O | InChi: | InChI=1S/C23H22N2O2/c1-4-22(26)25-18-13-12-15(2)21(14-18)23(27)24-16(3)19-11-7-9-17-8-5-6-10-20(17)19/h4-14,16H,1H2,2-3H3,(H,24,27)(H,25,26)/t16-/m1/s1 | Definition date: | 2020-07-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide |
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![Y95 Y95](https://data.pdbj.org/pdbjplus/data/cc/svg/Y95.svg) | Y95 | Name: | 5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide | Formula: | C22 H22 N4 O3 | SMILES: | O=C(NC(Nc1ccc(c(c1)C(NC(C)c2cccc3c2cccc3)=O)C)=O)N | InChi: | InChI=1S/C22H22N4O3/c1-13-10-11-16(25-22(29)26-21(23)28)12-19(13)20(27)24-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,1-2H3,(H,24,27)(H4,23,25,26,28,29)/t14-/m1/s1 | Definition date: | 2020-07-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide |
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![U87 U87](https://data.pdbj.org/pdbjplus/data/cc/svg/U87.svg) | U87 | Name: | 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine | Formula: | C26 H34 Cl2 N8 O5 | SMILES: | C(=O)(O)C(N)CCN(CCCC1c2c(CNC1)c(c(cc2)Cl)Cl)CC3C(C(C(O3)n5c4ncnc(c4nc5)N)O)O | InChi: | InChI=1S/C26H34Cl2N8O5/c27-16-4-3-14-13(8-31-9-15(14)19(16)28)2-1-6-35(7-5-17(29)26(39)40)10-18-21(37)22(38)25(41-18)36-12-34-20-23(30)32-11-33-24(20)36/h3-4,11-13,17-18,21-22,25,31,37-38H,1-2,5-10,29H2,(H,39,40)(H2,30,32,33)/t13-,17-,18+,21+,22+,25+/m0/s1 | Definition date: | 2020-05-01 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine |
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![TU7 TU7](https://data.pdbj.org/pdbjplus/data/cc/svg/TU7.svg) | TU7 | Name: | (2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone | Formula: | C17 H15 Cl2 N O2 | SMILES: | C(c1ccc(cc1Cl)Cl)(N3CC(c2ccccc2)OCC3)=O | InChi: | InChI=1S/C17H15Cl2NO2/c18-13-6-7-14(15(19)10-13)17(21)20-8-9-22-16(11-20)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2/t16-/m1/s1 | Definition date: | 2020-03-31 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone |
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![P7S P7S](https://data.pdbj.org/pdbjplus/data/cc/svg/P7S.svg) | P7S | Name: | N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide | Formula: | C22 H29 Cl N4 O6 | SMILES: | C2CN(C(C(C(C)(C)C)NC(c1ccc(c(c1)Cl)N)=O)=O)C(C(NC(CC(=O)O)C=O)=O)C2 | InChi: | InChI=1S/C22H29ClN4O6/c1-22(2,3)18(26-19(31)12-6-7-15(24)14(23)9-12)21(33)27-8-4-5-16(27)20(32)25-13(11-28)10-17(29)30/h6-7,9,11,13,16,18H,4-5,8,10,24H2,1-3H3,(H,25,32)(H,26,31)(H,29,30)/t13-,16-,18+/m0/s1 | Definition date: | 2019-08-06 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide |
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![Q64 Q64](https://data.pdbj.org/pdbjplus/data/cc/svg/Q64.svg) | Q64 | Name: | (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide | Formula: | C17 H16 N2 O4 S | SMILES: | c1ccc(cc1)[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O | InChi: | InChI=1S/C17H16N2O4S/c1-12(20)16(11-13-5-3-2-4-6-13)17(21)19-14-7-9-15(10-8-14)24(18,22)23/h2-11H,1H3,(H,19,21)(H2,18,22,23)/b16-11- | Definition date: | 2019-09-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide |
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![Q6A Q6A](https://data.pdbj.org/pdbjplus/data/cc/svg/Q6A.svg) | Q6A | Name: | (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide | Formula: | C18 H18 N2 O5 S | SMILES: | c1cc(ccc1[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O)OC | InChi: | InChI=1S/C18H18N2O5S/c1-12(21)17(11-13-3-7-15(25-2)8-4-13)18(22)20-14-5-9-16(10-6-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)/b17-11- | Definition date: | 2019-09-24 | Last modified: | 2020-07-31 | Release date: | 2020-08-05 | Identifier: | (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide |
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