![77E 77E](https://data.pdbj.org/pdbjplus/data/cc/svg/77E.svg) | 77E | Name: | (4R)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid | Formula: | C13 H21 N2 O7 P | SMILES: | OP(O)(=O)OCc1cnc(c(c1CCC(N)CCC(O)=O)O)C | InChi: | InChI=1S/C13H21N2O7P/c1-8-13(18)11(4-2-10(14)3-5-12(16)17)9(6-15-8)7-22-23(19,20)21/h6,10,18H,2-5,7,14H2,1H3,(H,16,17)(H2,19,20,21)/t10-/m1/s1 | Definition date: | 2016-09-08 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | (4R)-4-amino-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}hexanoic acid |
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![77J 77J](https://data.pdbj.org/pdbjplus/data/cc/svg/77J.svg) | 77J | Name: | N-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide | Formula: | C13 H13 N3 O3 S | SMILES: | C=1(NC(=O)C=C(N=1)c2ccccc2)SCCC(NO)=O | InChi: | InChI=1S/C13H13N3O3S/c17-11(16-19)6-7-20-13-14-10(8-12(18)15-13)9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H,16,17)(H,14,15,18) | Definition date: | 2016-03-09 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | N-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide |
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![77W 77W](https://data.pdbj.org/pdbjplus/data/cc/svg/77W.svg) | 77W | Name: | (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid | Formula: | C25 H22 F N O3 | SMILES: | c4c(cc3CCN(c1ccc(cc1)F)C(C)(c2ccc(cc2)[C@H]=[C@H]C(O)=O)c3c4)O | InChi: | InChI=1S/C25H22FNO3/c1-25(19-5-2-17(3-6-19)4-13-24(29)30)23-12-11-22(28)16-18(23)14-15-27(25)21-9-7-20(26)8-10-21/h2-13,16,28H,14-15H2,1H3,(H,29,30)/b13-4+/t25-/m1/s1 | Definition date: | 2016-09-09 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid |
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![782 782](https://data.pdbj.org/pdbjplus/data/cc/svg/782.svg) | 782 | Name: | (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid | Formula: | C28 H29 N O3 | SMILES: | c3c(cc2CCN(C(c1ccc(cc1)[C@H]=[C@H]C(=O)O)(C)c2c3)c4ccc(cc4)C(C)C)O | InChi: | InChI=1S/C28H29NO3/c1-19(2)21-7-11-24(12-8-21)29-17-16-22-18-25(30)13-14-26(22)28(29,3)23-9-4-20(5-10-23)6-15-27(31)32/h4-15,18-19,30H,16-17H2,1-3H3,(H,31,32)/b15-6+/t28-/m1/s1 | Definition date: | 2016-09-12 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid |
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![JNI JNI](https://data.pdbj.org/pdbjplus/data/cc/svg/JNI.svg) | JNI | Name: | ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine | Formula: | C31 H30 N8 | SMILES: | Nc1nccc(n1)N(Cc2ccccc2)c3ccccc3c4cccc(c4)c5cnc(nc5)N6CCNCC6 | InChi: | InChI=1S/C31H30N8/c32-30-34-14-13-29(37-30)39(22-23-7-2-1-3-8-23)28-12-5-4-11-27(28)25-10-6-9-24(19-25)26-20-35-31(36-21-26)38-17-15-33-16-18-38/h1-14,19-21,33H,15-18,22H2,(H2,32,34,37) | Definition date: | 2017-01-12 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine |
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![81G 81G](https://data.pdbj.org/pdbjplus/data/cc/svg/81G.svg) | 81G | Name: | (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one | Formula: | C21 H21 F N4 O2 S | SMILES: | n5ncc(c1sc4c(c1)NC2(CCC(CC2)(O)c3ccc(cc3)F)NC4=O)c5C | InChi: | InChI=1S/C21H21FN4O2S/c1-12-15(11-23-26-12)17-10-16-18(29-17)19(27)25-21(24-16)8-6-20(28,7-9-21)13-2-4-14(22)5-3-13/h2-5,10-11,24,28H,6-9H2,1H3,(H,23,26)(H,25,27)/t20-,21+ | Definition date: | 2016-12-14 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one |
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![7IA 7IA](https://data.pdbj.org/pdbjplus/data/cc/svg/7IA.svg) | 7IA | Name: | [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid | Formula: | C12 H10 N2 O3 S | SMILES: | C(SC=1NC(=O)C=C(N=1)c2ccccc2)C(=O)O | InChi: | InChI=1S/C12H10N2O3S/c15-10-6-9(8-4-2-1-3-5-8)13-12(14-10)18-7-11(16)17/h1-6H,7H2,(H,16,17)(H,13,14,15) | Definition date: | 2016-03-16 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid |
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![3Y7 3Y7](https://data.pdbj.org/pdbjplus/data/cc/svg/3Y7.svg) | 3Y7 | Name: | 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine | Formula: | C10 H12 N4 O2 | SMILES: | n1onc2c(ccc(c12)N)N3CCOCC3 | InChi: | InChI=1S/C10H12N4O2/c11-7-1-2-8(10-9(7)12-16-13-10)14-3-5-15-6-4-14/h1-2H,3-6,11H2 | Definition date: | 2014-12-10 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine |
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![P60 P60](https://data.pdbj.org/pdbjplus/data/cc/svg/P60.svg) | P60 | Name: | 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid | Formula: | C10 H6 F N O3 | SMILES: | c1cc(c(cc1)F)c2c(C(O)=O)nco2 | InChi: | InChI=1S/C10H6FNO3/c11-7-4-2-1-3-6(7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14) | Definition date: | 2016-03-17 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid |
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![6C4 6C4](https://data.pdbj.org/pdbjplus/data/cc/svg/6C4.svg) | 6C4 | Name: | N-(cyclopentylmethyl)cyclopentanecarboxamide | Formula: | C12 H21 N O | SMILES: | C2(C(=O)NCC1CCCC1)CCCC2 | InChi: | InChI=1S/C12H21NO/c14-12(11-7-3-4-8-11)13-9-10-5-1-2-6-10/h10-11H,1-9H2,(H,13,14) | Definition date: | 2016-03-09 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | N-(cyclopentylmethyl)cyclopentanecarboxamide |
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![6C5 6C5](https://data.pdbj.org/pdbjplus/data/cc/svg/6C5.svg) | 6C5 | Name: | N-(cyclopentylmethyl)pyrrolidine-1-carboxamide | Formula: | C11 H20 N2 O | SMILES: | C1CCCN1C(NCC2CCCC2)=O | InChi: | InChI=1S/C11H20N2O/c14-11(13-7-3-4-8-13)12-9-10-5-1-2-6-10/h10H,1-9H2,(H,12,14) | Definition date: | 2016-03-09 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | N-(cyclopentylmethyl)pyrrolidine-1-carboxamide |
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![6C8 6C8](https://data.pdbj.org/pdbjplus/data/cc/svg/6C8.svg) | 6C8 | Name: | (2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one | Formula: | C11 H13 N O2 | SMILES: | O=C(C=Cc1cocc1)N2CCCC2 | InChi: | InChI=1S/C11H13NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h3-5,8-9H,1-2,6-7H2/b4-3+ | Definition date: | 2016-03-09 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | (2E)-3-(furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one |
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![6C9 6C9](https://data.pdbj.org/pdbjplus/data/cc/svg/6C9.svg) | 6C9 | Name: | N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide | Formula: | C10 H18 N2 O2 | SMILES: | O=C(N1CCCC1)NCC2CCOC2 | InChi: | InChI=1S/C10H18N2O2/c13-10(12-4-1-2-5-12)11-7-9-3-6-14-8-9/h9H,1-8H2,(H,11,13)/t9-/m0/s1 | Definition date: | 2016-03-09 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide |
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![6CC 6CC](https://data.pdbj.org/pdbjplus/data/cc/svg/6CC.svg) | 6CC | Name: | 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide | Formula: | C9 H8 Cl N3 O2 S2 | SMILES: | c2c(c1cc(c(Cl)cc1)S(=O)(=O)N)nc(N)s2 | InChi: | InChI=1S/C9H8ClN3O2S2/c10-6-2-1-5(3-8(6)17(12,14)15)7-4-16-9(11)13-7/h1-4H,(H2,11,13)(H2,12,14,15) | Definition date: | 2016-03-10 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide |
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![6CX 6CX](https://data.pdbj.org/pdbjplus/data/cc/svg/6CX.svg) | 6CX | Name: | 5'-{[(3S)-3-amino-3-carboxypropyl][(1H-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine | Formula: | C18 H25 N9 O5 | SMILES: | c2nc1n(cnc1c(n2)N)C4C(C(C(CN(Cc3cncn3)CCC(C(O)=O)N)O4)O)O | InChi: | InChI=1S/C18H25N9O5/c19-10(18(30)31)1-2-26(4-9-3-21-6-22-9)5-11-13(28)14(29)17(32-11)27-8-25-12-15(20)23-7-24-16(12)27/h3,6-8,10-11,13-14,17,28-29H,1-2,4-5,19H2,(H,21,22)(H,30,31)(H2,20,23,24)/t10-,11+,13+,14+,17+/m0/s1 | Definition date: | 2016-03-15 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl][(1H-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine |
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![6E1 6E1](https://data.pdbj.org/pdbjplus/data/cc/svg/6E1.svg) | 6E1 | Name: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside | Formula: | C28 H28 F8 N2 O12 S | SMILES: | c4(c(OC)c(F)c(c(C(NC3C(C(SC2C(C(NC(c1c(F)c(c(OC)c(F)c1F)F)=O)C(O)C(O2)CO)O)OC(C3O)CO)O)=O)c4F)F)F | InChi: | InChI=1S/C28H28F8N2O12S/c1-47-23-13(33)9(29)7(10(30)14(23)34)25(45)37-17-19(41)5(3-39)49-27(21(17)43)51-28-22(44)18(20(42)6(4-40)50-28)38-26(46)8-11(31)15(35)24(48-2)16(36)12(8)32/h5-6,17-22,27-28,39-44H,3-4H2,1-2H3,(H,37,45)(H,38,46)/t5-,6-,17+,18+,19+,20+,21-,22-,27+,28+/m1/s1 | Definition date: | 2016-03-18 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside |
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![6E3 6E3](https://data.pdbj.org/pdbjplus/data/cc/svg/6E3.svg) | 6E3 | Name: | 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione | Formula: | C10 H12 N2 O2 | SMILES: | O=C1C(=C(C)N2N1C(C(C)=C2C)=O)C | InChi: | InChI=1S/C10H12N2O2/c1-5-7(3)11-8(4)6(2)10(14)12(11)9(5)13/h1-4H3 | Definition date: | 2016-03-19 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione |
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![6FG 6FG](https://data.pdbj.org/pdbjplus/data/cc/svg/6FG.svg) | 6FG | Name: | 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one | Formula: | C11 H15 N O2 | SMILES: | O=C(N1CCCC1)CCc2ccoc2 | InChi: | InChI=1S/C11H15NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h5,8-9H,1-4,6-7H2 | Definition date: | 2016-03-30 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one |
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![6FR 6FR](https://data.pdbj.org/pdbjplus/data/cc/svg/6FR.svg) | 6FR | Name: | 1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine | Formula: | C11 H21 N O2 S | SMILES: | O=S(CCC1CCCC1)(=O)N2CCCC2 | InChi: | InChI=1S/C11H21NO2S/c13-15(14,12-8-3-4-9-12)10-7-11-5-1-2-6-11/h11H,1-10H2 | Definition date: | 2016-03-31 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | 1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine |
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![6LE 6LE](https://data.pdbj.org/pdbjplus/data/cc/svg/6LE.svg) | 6LE | Name: | (1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol | Formula: | C8 H10 Cl N O | SMILES: | c1c(ccc(c1)C(CN)O)Cl | InChi: | InChI=1S/C8H10ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1 | Definition date: | 2016-04-30 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | (1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol |
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![6LJ 6LJ](https://data.pdbj.org/pdbjplus/data/cc/svg/6LJ.svg) | 6LJ | Name: | 2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile | Formula: | C24 H26 N4 | SMILES: | C1CCN(CC1)CCCNc4c2c(cccc2)nc(c3ccccc3C#N)c4 | InChi: | InChI=1S/C24H26N4/c25-18-19-9-2-3-10-20(19)24-17-23(21-11-4-5-12-22(21)27-24)26-13-8-16-28-14-6-1-7-15-28/h2-5,9-12,17H,1,6-8,13-16H2,(H,26,27) | Definition date: | 2016-05-02 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | 2-(4-{[3-(piperidin-1-yl)propyl]amino}quinolin-2-yl)benzonitrile |
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![6LY 6LY](https://data.pdbj.org/pdbjplus/data/cc/svg/6LY.svg) | 6LY | Name: | (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol | Formula: | C8 H10 Br N O | SMILES: | c1cc(ccc1Br)C(CN)O | InChi: | InChI=1S/C8H10BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1 | Definition date: | 2016-05-03 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol |
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![6LZ 6LZ](https://data.pdbj.org/pdbjplus/data/cc/svg/6LZ.svg) | 6LZ | Name: | 2-amino-1-(4-fluorophenyl)ethan-1-one | Formula: | C8 H8 F N O | SMILES: | c1c(F)ccc(c1)C(=O)CN | InChi: | InChI=1S/C8H8FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2 | Definition date: | 2016-05-03 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | 2-amino-1-(4-fluorophenyl)ethan-1-one |
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![8Q4 8Q4](https://data.pdbj.org/pdbjplus/data/cc/svg/8Q4.svg) | 8Q4 | Name: | 2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate | Formula: | C20 H21 Cl N2 O4 | SMILES: | CC(c1cccc(C(=C)C)c1)(C)NC(=O)Nc2cc(OC(=O)O)c(cc2)Cl | InChi: | InChI=1S/C20H21ClN2O4/c1-12(2)13-6-5-7-14(10-13)20(3,4)23-18(24)22-15-8-9-16(21)17(11-15)27-19(25)26/h5-11H,1H2,2-4H3,(H,25,26)(H2,22,23,24) | Definition date: | 2017-02-28 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | 2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl hydrogen carbonate |
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![8Q8 8Q8](https://data.pdbj.org/pdbjplus/data/cc/svg/8Q8.svg) | 8Q8 | Name: | (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide | Formula: | C27 H31 N5 O3 | SMILES: | CC(C)(N)[CH](N[CH]1CCc2cc(ccc12)C#Cc3ccc(Cn4ccnc4CO)cc3)C(=O)NO | InChi: | InChI=1S/C27H31N5O3/c1-27(2,28)25(26(34)31-35)30-23-12-10-21-15-19(9-11-22(21)23)6-3-18-4-7-20(8-5-18)16-32-14-13-29-24(32)17-33/h4-5,7-9,11,13-15,23,25,30,33,35H,10,12,16-17,28H2,1-2H3,(H,31,34)/t23-,25-/m1/s1 | Definition date: | 2017-02-23 | Last modified: | 2017-03-24 | Release date: | 2017-03-29 | Identifier: | (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide |
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