![6IK 6IK](https://data.pdbj.org/pdbjplus/data/cc/svg/6IK.svg) | 6IK | Name: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3S)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide | Formula: | C34 H42 N6 O2 | SMILES: | O[C]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC(=O)c4ccc(CN5CC6(CCC6)[CH]5C7CC7)cc4 | InChi: | InChI=1S/C34H42N6O2/c41-32(28-10-8-26(9-11-28)20-40-22-33(14-4-15-33)31(40)27-12-13-27)36-21-34(42)16-5-17-39(23-34)30-18-29(37-24-38-30)35-19-25-6-2-1-3-7-25/h1-3,6-11,18,24,27,31,42H,4-5,12-17,19-23H2,(H,36,41)(H,35,37,38)/t31-,34-/m0/s1 | Definition date: | 2021-07-28 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | 4-[[(3~{S})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{S})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide |
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![1AS 1AS](https://data.pdbj.org/pdbjplus/data/cc/svg/1AS.svg) | 1AS | Name: | (~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid | Formula: | C35 H33 F O8 | SMILES: | COc1c(CC=C(C)C)c2C(=O)c3c(Oc2cc1OCc4ccc(F)cc4)cc5OC(C)(C)C=Cc5c3OCC=CC(O)=O | InChi: | InChI=1S/C35H33FO8/c1-20(2)8-13-24-30-26(18-28(33(24)40-5)42-19-21-9-11-22(36)12-10-21)43-27-17-25-23(14-15-35(3,4)44-25)34(31(27)32(30)39)41-16-6-7-29(37)38/h6-12,14-15,17-18H,13,16,19H2,1-5H3,(H,37,38)/b7-6+ | Definition date: | 2021-06-17 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | (~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid |
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![1GF 1GF](https://data.pdbj.org/pdbjplus/data/cc/svg/1GF.svg) | 1GF | Name: | (~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid | Formula: | C35 H33 F O8 | SMILES: | COc1c(CC=C(C)C)c2C(=O)c3c(Oc2cc1OCc4ccc(F)cc4)cc5OC(C)(C)C=Cc5c3OCC=CC(O)=O | InChi: | InChI=1S/C35H33FO8/c1-20(2)8-13-24-30-26(18-28(33(24)40-5)42-19-21-9-11-22(36)12-10-21)43-27-17-25-23(14-15-35(3,4)44-25)34(31(27)32(30)39)41-16-6-7-29(37)38/h6-12,14-15,17-18H,13,16,19H2,1-5H3,(H,37,38)/b7-6- | Definition date: | 2021-06-21 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | (~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid |
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![H0U H0U](https://data.pdbj.org/pdbjplus/data/cc/svg/H0U.svg) | H0U | Name: | ~{N}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide | Formula: | C19 H16 N2 O2 S2 | SMILES: | Cc1ccc(cc1)[S](=O)(=O)Nc2cc(ccc2C)c3sc(cc3)C#N | InChi: | InChI=1S/C19H16N2O2S2/c1-13-3-8-17(9-4-13)25(22,23)21-18-11-15(6-5-14(18)2)19-10-7-16(12-20)24-19/h3-11,21H,1-2H3 | Definition date: | 2020-10-20 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | ~{N}-[5-(5-cyanothiophen-2-yl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide |
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![H1C H1C](https://data.pdbj.org/pdbjplus/data/cc/svg/H1C.svg) | H1C | Name: | methyl ~{N}-(5-butyl-1~{H}-benzimidazol-2-yl)carbamate | Formula: | C13 H17 N3 O2 | SMILES: | CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1 | InChi: | InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17) | Definition date: | 2020-10-20 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | methyl ~{N}-(5-butyl-1~{H}-benzimidazol-2-yl)carbamate |
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![H1F H1F](https://data.pdbj.org/pdbjplus/data/cc/svg/H1F.svg) | H1F | Name: | 5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide | Formula: | C19 H21 N3 O3 S | SMILES: | COc1cc(cc(OC)c1OC)[CH]2CC(=NN2C(N)=S)c3ccccc3 | InChi: | InChI=1S/C19H21N3O3S/c1-23-16-9-13(10-17(24-2)18(16)25-3)15-11-14(21-22(15)19(20)26)12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3,(H2,20,26) | Definition date: | 2020-10-20 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | 5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide |
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![H1O H1O](https://data.pdbj.org/pdbjplus/data/cc/svg/H1O.svg) | H1O | Name: | 2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole | Formula: | C25 H23 N3 O3 | SMILES: | COc1cc(cc(OC)c1OC)c2cccc3nc([nH]c23)c4cccc5n(C)ccc45 | InChi: | InChI=1S/C25H23N3O3/c1-28-12-11-17-18(8-6-10-20(17)28)25-26-19-9-5-7-16(23(19)27-25)15-13-21(29-2)24(31-4)22(14-15)30-3/h5-14H,1-4H3,(H,26,27) | Definition date: | 2020-10-20 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | 2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole |
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![0X8 0X8](https://data.pdbj.org/pdbjplus/data/cc/svg/0X8.svg) | 0X8 | Name: | (~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid | Formula: | C28 H28 O8 | SMILES: | COc1c(O)cc2Oc3cc4OC(C)(C)C=Cc4c(OCC=CC(O)=O)c3C(=O)c2c1CC=C(C)C | InChi: | InChI=1S/C28H28O8/c1-15(2)8-9-17-23-20(13-18(29)26(17)33-5)35-21-14-19-16(10-11-28(3,4)36-19)27(24(21)25(23)32)34-12-6-7-22(30)31/h6-8,10-11,13-14,29H,9,12H2,1-5H3,(H,30,31)/b7-6+ | Definition date: | 2021-06-17 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | (~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid |
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![9EI 9EI](https://data.pdbj.org/pdbjplus/data/cc/svg/9EI.svg) | 9EI | Name: | 5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide | Formula: | C16 H13 N3 O | SMILES: | O=C(Nc1cccc2ccccc21)c1cncc(N)c1 | InChi: | InChI=1S/C16H13N3O/c17-13-8-12(9-18-10-13)16(20)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-10H,17H2,(H,19,20) | Definition date: | 2021-10-08 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | 5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide |
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![0AE 0AE](https://data.pdbj.org/pdbjplus/data/cc/svg/0AE.svg) | 0AE | Name: | (3~{R})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{S})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol | Formula: | C37 H47 N6 O | SMILES: | CC(C)[CH]1[NH+](Cc2ccc3c(NC[C]4(O)CCCN(C4)c5cc(NCc6ccccc6)ncn5)cccc3c2)CC17CCC7 | InChi: | InChI=1S/C37H46N6O/c1-27(2)35-36(15-7-16-36)24-43(35)22-29-13-14-31-30(19-29)11-6-12-32(31)39-23-37(44)17-8-18-42(25-37)34-20-33(40-26-41-34)38-21-28-9-4-3-5-10-28/h3-6,9-14,19-20,26-27,35,39,44H,7-8,15-18,21-25H2,1-2H3,(H,38,40,41)/p+1/t35-,37+/m0/s1 | Definition date: | 2021-06-03 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | (3~{R})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{S})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol |
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![0BA 0BA](https://data.pdbj.org/pdbjplus/data/cc/svg/0BA.svg) | 0BA | Name: | 2-oxidanyl-N-[[(3R)-3-oxidanyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide | Formula: | C29 H38 N6 O3 | SMILES: | CC(C)[CH]1N(Cc2ccc(c(O)c2)C(=O)NC[C]3(O)CCCN(C3)c4ncnc5[nH]ccc45)CC16CCC6 | InChi: | InChI=1S/C29H38N6O3/c1-19(2)24-28(8-3-9-28)16-35(24)14-20-5-6-21(23(36)13-20)27(37)31-15-29(38)10-4-12-34(17-29)26-22-7-11-30-25(22)32-18-33-26/h5-7,11,13,18-19,24,36,38H,3-4,8-10,12,14-17H2,1-2H3,(H,31,37)(H,30,32,33)/t24-,29+/m0/s1 | Definition date: | 2021-06-03 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | 2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3~{S})-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide |
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![0BH 0BH](https://data.pdbj.org/pdbjplus/data/cc/svg/0BH.svg) | 0BH | Name: | N-[[(3R)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide | Formula: | C36 H44 N6 O3 S | SMILES: | CC(C)[CH]1N(Cc2ccc(c(O)c2)C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5cccc6sccc56)ncn4)CC17CCC7 | InChi: | InChI=1S/C36H44N6O3S/c1-24(2)33-35(11-4-12-35)21-42(33)19-25-8-9-28(29(43)16-25)34(44)38-20-36(45)13-5-14-41(22-36)32-17-31(39-23-40-32)37-18-26-6-3-7-30-27(26)10-15-46-30/h3,6-10,15-17,23-24,33,43,45H,4-5,11-14,18-22H2,1-2H3,(H,38,44)(H,37,39,40)/t33-,36+/m0/s1 | Definition date: | 2021-06-03 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | ~{N}-[[(3~{R})-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3~{S})-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide |
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![H9R H9R](https://data.pdbj.org/pdbjplus/data/cc/svg/H9R.svg) | H9R | Name: | 2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one | Formula: | C21 H20 O11 | SMILES: | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc3OC(=CC(=O)c3c2O)c4ccc(O)c(O)c4 | InChi: | InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1 | Definition date: | 2020-12-11 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | 2-[3,4-bis(oxidanyl)phenyl]-6-[(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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![HAF HAF](https://data.pdbj.org/pdbjplus/data/cc/svg/HAF.svg) | HAF | Name: | tert-butyl 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate | Formula: | C24 H33 N5 O3 | SMILES: | CN1C[CH](C[CH](C1)c2ccccc2)NC3=NC4=C(CN(C4)C(=O)OC(C)(C)C)C(=O)N3C | InChi: | InChI=1S/C24H33N5O3/c1-24(2,3)32-23(31)29-14-19-20(15-29)26-22(28(5)21(19)30)25-18-11-17(12-27(4)13-18)16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3,(H,25,26)/t17-,18+/m0/s1 | Definition date: | 2020-12-14 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | ~{tert}-butyl 3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate |
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![L30 L30](https://data.pdbj.org/pdbjplus/data/cc/svg/L30.svg) | L30 | Name: | N-(naphthalen-1-yl)pyridine-3-carboxamide | Formula: | C16 H12 N2 O | SMILES: | O=C(Nc1cccc2ccccc21)c1cccnc1 | InChi: | InChI=1S/C16H12N2O/c19-16(13-7-4-10-17-11-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,18,19) | Definition date: | 2021-10-08 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | N-(naphthalen-1-yl)pyridine-3-carboxamide |
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![35Z 35Z](https://data.pdbj.org/pdbjplus/data/cc/svg/35Z.svg) | 35Z | Name: | 2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{H}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one | Formula: | C25 H25 N5 O3 | SMILES: | COc1cccc(c1)c2nccc(n2)c3[nH]c4c(c3)C(=O)NCC45CCN(CC5)C(=O)C=C | InChi: | InChI=1S/C25H25N5O3/c1-3-21(31)30-11-8-25(9-12-30)15-27-24(32)18-14-20(28-22(18)25)19-7-10-26-23(29-19)16-5-4-6-17(13-16)33-2/h3-7,10,13-14,28H,1,8-9,11-12,15H2,2H3,(H,27,32) | Definition date: | 2021-06-23 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | 2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{H}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one |
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![JC3 JC3](https://data.pdbj.org/pdbjplus/data/cc/svg/JC3.svg) | JC3 | Name: | 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one | Formula: | C20 H26 N4 O | SMILES: | CN1C[CH](C[CH](C1)c2ccccc2)NC3=NC4=C(CCC4)C(=O)N3C | InChi: | InChI=1S/C20H26N4O/c1-23-12-15(14-7-4-3-5-8-14)11-16(13-23)21-20-22-18-10-6-9-17(18)19(25)24(20)2/h3-5,7-8,15-16H,6,9-13H2,1-2H3,(H,21,22)/t15-,16+/m0/s1 | Definition date: | 2021-05-14 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | 3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-4-one |
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![YQ7 YQ7](https://data.pdbj.org/pdbjplus/data/cc/svg/YQ7.svg) | YQ7 | Name: | (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one | Formula: | C16 H12 Cl N5 O | SMILES: | Cc1cnccc1c1cc2c(NC(=O)n3nc(C)nc23)cc1Cl | InChi: | InChI=1S/C16H12ClN5O/c1-8-7-18-4-3-10(8)11-5-12-14(6-13(11)17)20-16(23)22-15(12)19-9(2)21-22/h3-7H,1-2H3,(H,20,23) | Definition date: | 2021-03-22 | Last modified: | 2021-10-08 | Release date: | 2021-10-13 | Identifier: | (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one |
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![YQD YQD](https://data.pdbj.org/pdbjplus/data/cc/svg/YQD.svg) | YQD | Name: | N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide | Formula: | C18 H16 Cl N5 O3 S | SMILES: | CS(=O)(=O)Nc1ccc(c(C)c1)c1cc2c(NC(=O)n3nc(C)nc23)cc1Cl | InChi: | InChI=1S/C18H16ClN5O3S/c1-9-6-11(23-28(3,26)27)4-5-12(9)13-7-14-16(8-15(13)19)21-18(25)24-17(14)20-10(2)22-24/h4-8,23H,1-3H3,(H,21,25) | Definition date: | 2021-03-22 | Last modified: | 2021-10-08 | Release date: | 2021-10-13 | Identifier: | N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide |
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![YQG YQG](https://data.pdbj.org/pdbjplus/data/cc/svg/YQG.svg) | YQG | Name: | N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide | Formula: | C20 H16 Cl N7 O3 S | SMILES: | O=S(=O)(Nc1ccc(c(C)c1)c1cc2c(NC(=O)n3nc(C)nc23)cc1Cl)c1ncc[NH]1 | InChi: | InChI=1S/C20H16ClN7O3S/c1-10-7-12(27-32(30,31)19-22-5-6-23-19)3-4-13(10)14-8-15-17(9-16(14)21)25-20(29)28-18(15)24-11(2)26-28/h3-9,27H,1-2H3,(H,22,23)(H,25,29) | Definition date: | 2021-03-22 | Last modified: | 2021-10-08 | Release date: | 2021-10-13 | Identifier: | N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide |
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![VJA VJA](https://data.pdbj.org/pdbjplus/data/cc/svg/VJA.svg) | VJA | Name: | N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Formula: | C26 H40 N4 O6 | SMILES: | c1ccc(cc1)COC(NC(C(C)C)C(=O)NC(C(NC(CO)CC2C(=O)NCC2)=O)CC(C)C)=O | InChi: | InChI=1S/C26H40N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,16-17,19-22,31H,10-15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20+,21-,22-/m0/s1 | Definition date: | 2020-08-14 | Last modified: | 2021-10-08 | Release date: | 2021-10-13 | Identifier: | N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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![VJE VJE](https://data.pdbj.org/pdbjplus/data/cc/svg/VJE.svg) | VJE | Name: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide | Formula: | C20 H17 Cl N4 O2 S | SMILES: | Cc1oc(CN(Cc2ccc(cc2)C#N)C(=O)CSc3ccccc3Cl)nn1 | InChi: | InChI=1S/C20H17ClN4O2S/c1-14-23-24-19(27-14)12-25(11-16-8-6-15(10-22)7-9-16)20(26)13-28-18-5-3-2-4-17(18)21/h2-9H,11-13H2,1H3 | Definition date: | 2021-05-19 | Last modified: | 2021-10-08 | Release date: | 2021-10-13 | Identifier: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide |
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![5LV 5LV](https://data.pdbj.org/pdbjplus/data/cc/svg/5LV.svg) | 5LV | Name: | 8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{H}-1,7-naphthyridin-2-one | Formula: | C23 H30 N6 O2 | SMILES: | CC1=Cc2c(NC1=O)c(NC3CCN(CCCN)CC3)ncc2c4cncc(CO)c4 | InChi: | InChI=1S/C23H30N6O2/c1-15-9-19-20(17-10-16(14-30)11-25-12-17)13-26-22(21(19)28-23(15)31)27-18-3-7-29(8-4-18)6-2-5-24/h9-13,18,30H,2-8,14,24H2,1H3,(H,26,27)(H,28,31) | Synonyms: | 8-((1-(3-aminopropyl)piperidin-4-yl)amino)-5-(5-(hydroxymethyl)pyridin-3-yl)-3-methyl-1,7-naphthyridin-2(1H)-one | Definition date: | 2021-07-13 | Last modified: | 2021-10-08 | Release date: | 2021-10-13 | Identifier: | 8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{H}-1,7-naphthyridin-2-one |
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![ZFY ZFY](https://data.pdbj.org/pdbjplus/data/cc/svg/ZFY.svg) | ZFY | Name: | 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide | Formula: | C20 H19 F3 N6 O3 S2 | SMILES: | O=S(=O)(Nc1nc(cs1)C(C)(C)C(=O)Nc1ccc(cn1)c1cncc(n1)C(F)(F)F)C1CC1 | InChi: | InChI=1S/C20H19F3N6O3S2/c1-19(2,15-10-33-18(27-15)29-34(31,32)12-4-5-12)17(30)28-16-6-3-11(7-25-16)13-8-24-9-14(26-13)20(21,22)23/h3,6-10,12H,4-5H2,1-2H3,(H,27,29)(H,25,28,30) | Definition date: | 2021-04-19 | Last modified: | 2021-10-08 | Release date: | 2021-10-13 | Identifier: | 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide |
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![ZG4 ZG4](https://data.pdbj.org/pdbjplus/data/cc/svg/ZG4.svg) | ZG4 | Name: | N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide | Formula: | C21 H22 N6 O4 S2 | SMILES: | O=S(=O)(Nc1nc(cs1)C1(NC(=O)c2ccc(cn2)c2cncc(OCC)n2)CC1)C1CC1 | InChi: | InChI=1S/C21H22N6O4S2/c1-2-31-18-11-22-10-16(24-18)13-3-6-15(23-9-13)19(28)26-21(7-8-21)17-12-32-20(25-17)27-33(29,30)14-4-5-14/h3,6,9-12,14H,2,4-5,7-8H2,1H3,(H,25,27)(H,26,28) | Definition date: | 2021-04-19 | Last modified: | 2021-10-08 | Release date: | 2021-10-13 | Identifier: | N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide |
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