Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
KF3
KF3
表記:2-tert-butyl-5-[(pyrimidin-5-yl)amino]-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
組成式:C20 H19 F3 N6 O2
SMILES:CC(C)(C)c1nc(C(=O)Nc2cccc(OC(F)(F)F)c2)c(cn1)Nc1cncnc1
InChi:InChI=1S/C20H19F3N6O2/c1-19(2,3)18-26-10-15(27-13-8-24-11-25-9-13)16(29-18)17(30)28-12-5-4-6-14(7-12)31-20(21,22)23/h4-11,27H,1-3H3,(H,28,30)
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:2-tert-butyl-5-[(pyrimidin-5-yl)amino]-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
KF9
KF9
表記:3-{5-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-4-oxo-1,4-dihydropyridazin-3-yl]-1H-pyrazol-1-yl}benzonitrile
組成式:C21 H11 F2 N5 O3
SMILES:N#Cc1cc(ccc1)n1nccc1C1=NN(C=CC1=O)c1cccc2OC(F)(F)Oc12
InChi:InChI=1S/C21H11F2N5O3/c22-21(23)30-18-6-2-5-16(20(18)31-21)27-10-8-17(29)19(26-27)15-7-9-25-28(15)14-4-1-3-13(11-14)12-24/h1-11H
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:3-{5-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-4-oxo-1,4-dihydropyridazin-3-yl]-1H-pyrazol-1-yl}benzonitrile
XP2
XP2
表記:(2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate
組成式:C51 H93 O24 P
SMILES:CCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(OC2OC(COC(=O)CCCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChi:InChI=1S/C51H93O24P/c1-4-7-10-13-15-17-20-22-25-35(53)67-29-32(70-37(55)27-24-19-12-9-6-3)30-69-76(65,66)75-49-47(73-50-45(63)40(58)38(56)33(28-52)71-50)43(61)42(60)44(62)48(49)74-51-46(64)41(59)39(57)34(72-51)31-68-36(54)26-23-21-18-16-14-11-8-5-2/h32-34,38-52,56-64H,4-31H2,1-3H3,(H,65,66)/t32-,33-,34-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47-,48+,49+,50-,51+/m1/s1
定義日:2022-08-29
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate
KFI
KFI
表記:2-chloro-6-(cyclopropylamino)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
組成式:C21 H17 Cl N6 O
SMILES:Clc1nc(NC2CC2)cc(c1)C(=O)Nc1ccn2nc(nc2c1)c1ccccc1
InChi:InChI=1S/C21H17ClN6O/c22-17-10-14(11-18(25-17)23-15-6-7-15)21(29)24-16-8-9-28-19(12-16)26-20(27-28)13-4-2-1-3-5-13/h1-5,8-12,15H,6-7H2,(H,23,25)(H,24,29)
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:2-chloro-6-(cyclopropylamino)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
KFO
KFO
表記:3-[1-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
組成式:C20 H12 F4 N4 O2
SMILES:FC(F)(F)Oc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cc(F)ccc1
InChi:InChI=1S/C20H12F4N4O2/c21-13-3-1-5-15(11-13)28-17(7-9-25-28)19-18(29)8-10-27(26-19)14-4-2-6-16(12-14)30-20(22,23)24/h1-12H
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:3-[1-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
J6I
J6I
表記:2-amino-4-{[(1S)-cyclohex-2-en-1-yl]oxy}quinoline-3-carbonitrile
組成式:C16 H15 N3 O
SMILES:N#Cc1c(OC2C=CCCC2)c2ccccc2nc1N
InChi:InChI=1S/C16H15N3O/c17-10-13-15(20-11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-16(13)18/h2,4-6,8-9,11H,1,3,7H2,(H2,18,19)/t11-/m1/s1
定義日:2022-02-01
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:2-amino-4-{[(1S)-cyclohex-2-en-1-yl]oxy}quinoline-3-carbonitrile
KFX
KFX
表記:N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine
組成式:C17 H18 N8
SMILES:Cn1nc(nc1NCc1nc2c(C)ncc(C)n2n1)c1ccccc1
InChi:InChI=1S/C17H18N8/c1-11-9-18-12(2)16-20-14(22-25(11)16)10-19-17-21-15(23-24(17)3)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,19,21,23)
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine
KG3
KG3
表記:6-cyclopropyl-N-{2-[2-(methylamino)-2-oxoethyl]phenyl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
組成式:C22 H22 N6 O2
SMILES:O=C(Nc1ccccc1CC(=O)NC)c1nc(ccc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C22H22N6O2/c1-23-20(29)10-15-4-2-3-5-17(15)28-22(30)21-19(26-16-11-24-13-25-12-16)9-8-18(27-21)14-6-7-14/h2-5,8-9,11-14,26H,6-7,10H2,1H3,(H,23,29)(H,28,30)
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:6-cyclopropyl-N-{2-[2-(methylamino)-2-oxoethyl]phenyl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
KGO
KGO
表記:N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-6-[(3S)-oxolan-3-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
組成式:C19 H21 N9 O3
SMILES:CNC(=O)c1n(C)ncc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CCOC1
InChi:InChI=1S/C19H21N9O3/c1-20-19(30)16-14(8-24-28(16)2)27-18(29)15-17(25-12-5-21-10-22-6-12)23-7-13(26-15)11-3-4-31-9-11/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,30)(H,23,25)(H,27,29)
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-6-[(3S)-oxolan-3-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
J7M
J7M
表記:4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
組成式:C19 H19 N3 O2
SMILES:Cn1c2ccccc2nc1CCN1CCOc2ccccc2C1=O
InChi:InChI=1S/C19H19N3O2/c1-21-16-8-4-3-7-15(16)20-18(21)10-11-22-12-13-24-17-9-5-2-6-14(17)19(22)23/h2-9H,10-13H2,1H3
定義日:2022-02-01
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
KH6
KH6
表記:N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-5-carboxamide
組成式:C24 H21 N7 O3
SMILES:O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1C#N)c1ccccc1)N1CCOCC1
InChi:InChI=1S/C24H21N7O3/c1-29-22(18(13-26-29)24(33)30-7-9-34-10-8-30)23(32)28-19-11-21-27-20(16-5-3-2-4-6-16)15-31(21)14-17(19)12-25/h2-6,11,13-15H,7-10H2,1H3,(H,28,32)
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-5-carboxamide
KHI
KHI
表記:6-chloro-N,N-dimethyl-2-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinazolin-4-amine
組成式:C21 H24 Cl N5
SMILES:CN(C)c1nc(nc2ccc(Cl)cc21)CCC1CCN(C1)c1ncccc1
InChi:InChI=1S/C21H24ClN5/c1-26(2)21-17-13-16(22)7-8-18(17)24-19(25-21)9-6-15-10-12-27(14-15)20-5-3-4-11-23-20/h3-5,7-8,11,13,15H,6,9-10,12,14H2,1-2H3
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:6-chloro-N,N-dimethyl-2-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinazolin-4-amine
J8J
J8J
表記:5-[(5-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide
組成式:C26 H23 N5 O4
SMILES:O=C(NC1COC1)c1cc2[NH]c(nc2cc1NC(=O)C1=CC(=CNC1=O)C1CC1)c1ccccc1
InChi:InChI=1S/C26H23N5O4/c32-24-19(8-16(11-27-24)14-6-7-14)26(34)31-20-10-22-21(9-18(20)25(33)28-17-12-35-13-17)29-23(30-22)15-4-2-1-3-5-15/h1-5,8-11,14,17H,6-7,12-13H2,(H,27,32)(H,28,33)(H,29,30)(H,31,34)
定義日:2022-02-01
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:5-[(5-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide
KHU
KHU
表記:N-(3-{3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-4-oxopyridazin-1(4H)-yl}phenyl)acetamide
組成式:C21 H16 F N5 O2
SMILES:CC(=O)Nc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1ccccc1F
InChi:InChI=1S/C21H16FN5O2/c1-14(28)24-15-5-4-6-16(13-15)26-12-10-20(29)21(25-26)19-9-11-23-27(19)18-8-3-2-7-17(18)22/h2-13H,1H3,(H,24,28)
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:N-(3-{3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-4-oxopyridazin-1(4H)-yl}phenyl)acetamide
KI4
KI4
表記:N-{3-[(4R)-imidazo[1,2-a]pyridin-2-yl]phenyl}-1-methyl-3-[(pyrimidin-5-yl)amino]-1H-pyrazole-4-carboxamide
組成式:C22 H18 N8 O
SMILES:Cn1cc(c(Nc2cncnc2)n1)C(=O)Nc1cc(ccc1)c1cn2ccccc2n1
InChi:InChI=1S/C22H18N8O/c1-29-12-18(21(28-29)25-17-10-23-14-24-11-17)22(31)26-16-6-4-5-15(9-16)19-13-30-8-3-2-7-20(30)27-19/h2-14H,1H3,(H,25,28)(H,26,31)
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:N-{3-[(4R)-imidazo[1,2-a]pyridin-2-yl]phenyl}-1-methyl-3-[(pyrimidin-5-yl)amino]-1H-pyrazole-4-carboxamide
KI8
KI8
表記:[4-(2-methoxyphenyl)piperazin-1-yl](3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)methanone
組成式:C24 H24 N4 O2 S
SMILES:COc1ccccc1N1CCN(CC1)C(=O)c1cc2c(C)nn(c3ccccc3)c2s1
InChi:InChI=1S/C24H24N4O2S/c1-17-19-16-22(31-24(19)28(25-17)18-8-4-3-5-9-18)23(29)27-14-12-26(13-15-27)20-10-6-7-11-21(20)30-2/h3-11,16H,12-15H2,1-2H3
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:[4-(2-methoxyphenyl)piperazin-1-yl](3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)methanone
KIE
KIE
表記:N-ethyl-6-[(4-fluorophenyl)sulfanyl]-N-methyl-7H-purin-2-amine
組成式:C14 H14 F N5 S
SMILES:Fc1ccc(cc1)Sc1nc(nc2nc[NH]c12)N(C)CC
InChi:InChI=1S/C14H14FN5S/c1-3-20(2)14-18-12-11(16-8-17-12)13(19-14)21-10-6-4-9(15)5-7-10/h4-8H,3H2,1-2H3,(H,16,17,18,19)
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:N-ethyl-6-[(4-fluorophenyl)sulfanyl]-N-methyl-7H-purin-2-amine
J9C
J9C
表記:6-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
組成式:C21 H19 N7 O
SMILES:Cc1ccc(Nc2cncnc2)c(n1)C(=O)Nc1cc(C)nn1c1ccccc1
InChi:InChI=1S/C21H19N7O/c1-14-8-9-18(25-16-11-22-13-23-12-16)20(24-14)21(29)26-19-10-15(2)27-28(19)17-6-4-3-5-7-17/h3-13,25H,1-2H3,(H,26,29)
定義日:2022-02-01
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:6-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
KII
KII
表記:1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide
組成式:C19 H17 N7 O
SMILES:Cn1nc(cc1NC(=O)c1nn(C)cc1c1ccncc1)c1ncccc1
InChi:InChI=1S/C19H17N7O/c1-25-12-14(13-6-9-20-10-7-13)18(24-25)19(27)22-17-11-16(23-26(17)2)15-5-3-4-8-21-15/h3-12H,1-2H3,(H,22,27)
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide
KIS
KIS
表記:diethyl 1,1'-[oxydi(3,1-phenylene)]bis(5-methyl-1H-imidazole-4-carboxylate)
組成式:C26 H26 N4 O5
SMILES:O=C(OCC)c1ncn(c1C)c1cccc(c1)Oc1cccc(c1)n1cnc(c1C)C(=O)OCC
InChi:InChI=1S/C26H26N4O5/c1-5-33-25(31)23-17(3)29(15-27-23)19-9-7-11-21(13-19)35-22-12-8-10-20(14-22)30-16-28-24(18(30)4)26(32)34-6-2/h7-16H,5-6H2,1-4H3
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:diethyl 1,1'-[oxydi(3,1-phenylene)]bis(5-methyl-1H-imidazole-4-carboxylate)
KIY
KIY
表記:7-(cyclopropylmethoxy)-2-methyl-4-(pyrrolidin-1-yl)quinazoline
組成式:C17 H21 N3 O
SMILES:Cc1nc2cc(OCC3CC3)ccc2c(n1)N1CCCC1
InChi:InChI=1S/C17H21N3O/c1-12-18-16-10-14(21-11-13-4-5-13)6-7-15(16)17(19-12)20-8-2-3-9-20/h6-7,10,13H,2-5,8-9,11H2,1H3
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:7-(cyclopropylmethoxy)-2-methyl-4-(pyrrolidin-1-yl)quinazoline
KJ3
KJ3
表記:(2S)-3-(4-{2-[2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}naphthalen-1-yl)-2-methoxypropanoic acid
組成式:C28 H28 F N O6
SMILES:O=C(O)C(OC)Cc1ccc(OCCc2nc(oc2C)c2ccc(F)cc2OCC)c2ccccc21
InChi:InChI=1S/C28H28FNO6/c1-4-34-25-16-19(29)10-11-22(25)27-30-23(17(2)36-27)13-14-35-24-12-9-18(15-26(33-3)28(31)32)20-7-5-6-8-21(20)24/h5-12,16,26H,4,13-15H2,1-3H3,(H,31,32)/t26-/m0/s1
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(2S)-3-(4-{2-[2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}naphthalen-1-yl)-2-methoxypropanoic acid
KJC
KJC
表記:6-cyclopropyl-N-{3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
組成式:C22 H26 N8 O3
SMILES:O=C(NCC(C)(C)O)c1nn(C)cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C22H26N8O3/c1-22(2,33)11-25-20(31)19-17(10-30(3)29-19)28-21(32)18-16(26-14-8-23-12-24-9-14)7-6-15(27-18)13-4-5-13/h6-10,12-13,26,33H,4-5,11H2,1-3H3,(H,25,31)(H,28,32)
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:6-cyclopropyl-N-{3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
JAP
JAP
表記:(4S)-2-(2-{3-[(3R)-3-fluoropyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine
組成式:C16 H21 F N8
SMILES:Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1)N1CC(F)CC1
InChi:InChI=1S/C16H21FN8/c1-10-8-18-11(2)15-19-13(21-25(10)15)4-5-14-20-16(22-23(14)3)24-7-6-12(17)9-24/h8,12H,4-7,9H2,1-3H3
定義日:2022-02-01
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(4S)-2-(2-{3-[(3R)-3-fluoropyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine
JBV
JBV
表記:(4S)-2-(2-{3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine
組成式:C17 H22 F2 N8
SMILES:Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1)N1CC(CC1)C(F)F
InChi:InChI=1S/C17H22F2N8/c1-10-8-20-11(2)16-21-13(23-27(10)16)4-5-14-22-17(24-25(14)3)26-7-6-12(9-26)15(18)19/h8,12,15H,4-7,9H2,1-3H3
定義日:2022-02-01
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(4S)-2-(2-{3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine

224931

件を2024-09-11に公開中

PDB statisticsPDBj update infoContact PDBjnumon