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
4FJ
4FJ
表記:1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine]
組成式:C30 H30 F N5 O2
SMILES:Fc7ccc2c(nc(c1ncccc1)c(c2N5c3cc(cnc3C4(CCOCC4)C5)N6CCOCC6)C)c7
InChi:InChI=1S/C30H30FN5O2/c1-20-27(24-4-2-3-9-32-24)34-25-16-21(31)5-6-23(25)28(20)36-19-30(7-12-37-13-8-30)29-26(36)17-22(18-33-29)35-10-14-38-15-11-35/h2-6,9,16-18H,7-8,10-15,19H2,1H3
定義日:2012-06-20
最終更新日:2012-10-19
公開日:2012-10-19
識別子（ID）:1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine]
FJY
FJY
表記:4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline
組成式:C29 H29 F N4 O
SMILES:Fc6ccc2c(nc(c1cccnc1)c(c2N5c4cc(N3CCOCC3)ccc4C(C)(C)C5)C)c6
InChi:InChI=1S/C29H29FN4O/c1-19-27(20-5-4-10-31-17-20)32-25-15-21(30)6-8-23(25)28(19)34-18-29(2,3)24-9-7-22(16-26(24)34)33-11-13-35-14-12-33/h4-10,15-17H,11-14,18H2,1-3H3
定義日:2012-06-20
最終更新日:2012-10-19
公開日:2012-10-19
識別子（ID）:4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline
C07
C07
表記:1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one
組成式:C18 H18 N4 O2
SMILES:O=C2C4=C(c1c(ncnc1N2c3cc(O)ccc3C)N)CCCC4
InChi:InChI=1S/C18H18N4O2/c1-10-6-7-11(23)8-14(10)22-17-15(16(19)20-9-21-17)12-4-2-3-5-13(12)18(22)24/h6-9,23H,2-5H2,1H3,(H2,19,20,21)
定義日:2012-07-25
最終更新日:2012-10-19
公開日:2012-10-19
識別子（ID）:1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one
0SZ
0SZ
表記:3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid
組成式:C16 H15 N O4 S
SMILES:O=C(O)c1cc(ccc1)S(=O)(=O)N3Cc2c(cccc2)CC3
InChi:InChI=1S/C16H15NO4S/c18-16(19)13-6-3-7-15(10-13)22(20,21)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10H,8-9,11H2,(H,18,19)
定義日:2012-05-24
最終更新日:2012-10-05
公開日:2012-10-05
識別子（ID）:3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid
0T0
0T0
表記:3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide
組成式:C17 H18 N2 O3 S
SMILES:O=C(NC)c1cc(ccc1)S(=O)(=O)N3Cc2c(cccc2)CC3
InChi:InChI=1S/C17H18N2O3S/c1-18-17(20)14-7-4-8-16(11-14)23(21,22)19-10-9-13-5-2-3-6-15(13)12-19/h2-8,11H,9-10,12H2,1H3,(H,18,20)
定義日:2012-05-24
最終更新日:2012-10-05
公開日:2012-10-05
識別子（ID）:3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide
AQB
AQB
表記:N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide
組成式:C34 H40 N10 O2
SMILES:O=C(Nc5cc1c(ncnc1Nc2ccc(cc2)NC(=O)Nc4cc(nn4c3cc(ccc3)N)C(C)(C)C)cc5)CCCN(C)C
InChi:InChI=1S/C34H40N10O2/c1-34(2,3)29-20-30(44(42-29)26-9-6-8-22(35)18-26)41-33(46)40-24-13-11-23(12-14-24)39-32-27-19-25(15-16-28(27)36-21-37-32)38-31(45)10-7-17-43(4)5/h6,8-9,11-16,18-21H,7,10,17,35H2,1-5H3,(H,38,45)(H,36,37,39)(H2,40,41,46)
定義日:2011-10-06
最終更新日:2012-10-05
公開日:2012-10-05
識別子（ID）:N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide
AQM
AQM
表記:N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide
組成式:C36 H43 N11 O2
SMILES:O=C(Nc5cc1c(ncnc1Nc2ccc(cc2)NC(=O)Nc4cc(nn4c3cc(ccc3)N)C(C)(C)C)cc5)CCN6CCN(C)CC6
InChi:InChI=1S/C36H43N11O2/c1-36(2,3)31-22-32(47(44-31)28-7-5-6-24(37)20-28)43-35(49)42-26-10-8-25(9-11-26)41-34-29-21-27(12-13-30(29)38-23-39-34)40-33(48)14-15-46-18-16-45(4)17-19-46/h5-13,20-23H,14-19,37H2,1-4H3,(H,40,48)(H,38,39,41)(H2,42,43,49)
定義日:2011-10-06
最終更新日:2012-10-05
公開日:2012-10-05
識別子（ID）:N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide
AQU
AQU
表記:1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea
組成式:C28 H28 N8 O
SMILES:O=C(Nc3ccc(Nc2ncnc1c2cccc1)cc3)Nc5cc(nn5c4cc(ccc4)N)C(C)(C)C
InChi:InChI=1S/C28H28N8O/c1-28(2,3)24-16-25(36(35-24)21-8-6-7-18(29)15-21)34-27(37)33-20-13-11-19(12-14-20)32-26-22-9-4-5-10-23(22)30-17-31-26/h4-17H,29H2,1-3H3,(H,30,31,32)(H2,33,34,37)
定義日:2011-10-07
最終更新日:2012-10-05
公開日:2012-10-05
識別子（ID）:1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea
NZT
NZT
表記:N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide
組成式:C24 H22 N6 O3 S
SMILES:O=C(c3ccc(NS(=O)(=O)c2c1ncccc1ccc2)cc3)N5CCN(c4nccnc4)CC5
InChi:InChI=1S/C24H22N6O3S/c31-24(30-15-13-29(14-16-30)22-17-25-11-12-26-22)19-6-8-20(9-7-19)28-34(32,33)21-5-1-3-18-4-2-10-27-23(18)21/h1-12,17,28H,13-16H2
定義日:2012-07-24
最終更新日:2012-10-05
公開日:2012-10-05
識別子（ID）:N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide
L4T
L4T
表記:N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-L-prolinamide
組成式:C40 H49 Br N6 O9 S
SMILES:O=C(Nc6nc(c4nc5c(c(OC3CC(C(=O)NC1(C(=O)O)CC1/C=C)N(C(=O)C(NC(=O)OC2CCCC2)C(C)(C)C)C3)c4)ccc(OC)c5Br)cs6)C(C)C
InChi:InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1
定義日:2010-10-20
最終更新日:2012-10-01
識別子（ID）:N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-L-prolinamide
L5T
L5T
表記:N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide
組成式:C40 H50 N6 O9 S
SMILES:O=C(Nc6nc(c4nc5c(c(OC3CC(C(=O)NC1(C(=O)O)CC1/C=C)N(C(=O)C(NC(=O)OC2CCCC2)C(C)(C)C)C3)c4)ccc(OC)c5)cs6)C(C)C
InChi:InChI=1S/C40H50N6O9S/c1-8-22-18-40(22,36(50)51)45-34(48)30-16-25(19-46(30)35(49)32(39(4,5)6)43-38(52)55-23-11-9-10-12-23)54-31-17-28(41-27-15-24(53-7)13-14-26(27)31)29-20-56-37(42-29)44-33(47)21(2)3/h8,13-15,17,20-23,25,30,32H,1,9-12,16,18-19H2,2-7H3,(H,43,52)(H,45,48)(H,50,51)(H,42,44,47)/t22-,25-,30+,32-,40-/m1/s1
定義日:2010-10-20
最終更新日:2012-10-01
識別子（ID）:N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide
12X
12X
表記:(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-proline
組成式:C22 H23 Br N4 O5 S
SMILES:O=C(Nc4nc(c2nc3c(c(OC1CC(C(=O)O)NC1)c2)ccc(OC)c3Br)cs4)C(C)C
InChi:InChI=1S/C22H23BrN4O5S/c1-10(2)20(28)27-22-26-15(9-33-22)13-7-17(32-11-6-14(21(29)30)24-8-11)12-4-5-16(31-3)18(23)19(12)25-13/h4-5,7,9-11,14,24H,6,8H2,1-3H3,(H,29,30)(H,26,27,28)/t11-,14+/m1/s1
定義日:2012-10-01
最終更新日:2012-10-01
識別子（ID）:(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-proline
12Y
12Y
表記:(4R)-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-proline
組成式:C22 H24 N4 O5 S
SMILES:O=C(Nc4nc(c2nc3c(c(OC1CC(C(=O)O)NC1)c2)ccc(OC)c3)cs4)C(C)C
InChi:InChI=1S/C22H24N4O5S/c1-11(2)20(27)26-22-25-18(10-32-22)16-8-19(31-13-7-17(21(28)29)23-9-13)14-5-4-12(30-3)6-15(14)24-16/h4-6,8,10-11,13,17,23H,7,9H2,1-3H3,(H,28,29)(H,25,26,27)/t13-,17+/m1/s1
定義日:2012-10-01
最終更新日:2012-10-01
識別子（ID）:(4R)-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-proline
HK0
HK0
表記:3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
組成式:C26 H26 N4 O6
SMILES:[O-][N+](=O)c1ccc(cc1OC)c4ccc5C(=O)Nc3cccc(OCCN2CCOCC2)c3Nc5c4
InChi:InChI=1S/C26H26N4O6/c1-34-24-16-18(6-8-22(24)30(32)33)17-5-7-19-21(15-17)27-25-20(28-26(19)31)3-2-4-23(25)36-14-11-29-9-12-35-13-10-29/h2-8,15-16,27H,9-14H2,1H3,(H,28,31)
定義日:2012-07-02
最終更新日:2012-09-28
公開日:2012-09-28
識別子（ID）:3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
9PQ
9PQ
表記:4-[2-(hydroxymethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide
組成式:C24 H26 N2 O3
SMILES:O=C(NCCN1CCOCC1)c4ccc(c3c2ccccc2ccc3CO)cc4
InChi:InChI=1S/C24H26N2O3/c27-17-21-10-5-18-3-1-2-4-22(18)23(21)19-6-8-20(9-7-19)24(28)25-11-12-26-13-15-29-16-14-26/h1-10,27H,11-17H2,(H,25,28)
定義日:2012-03-29
最終更新日:2012-09-28
公開日:2012-09-28
識別子（ID）:4-[2-(hydroxymethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide
0J3
0J3
表記:3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine
組成式:C22 H22 F3 N5 O2
SMILES:[O-][N+](=O)c1cccc(c1)CNc3c2cc(cnc2cc(c3)C(F)(F)F)N4CCN(C)CC4
InChi:InChI=1S/C22H22F3N5O2/c1-28-5-7-29(8-6-28)18-12-19-20(10-16(22(23,24)25)11-21(19)27-14-18)26-13-15-3-2-4-17(9-15)30(31)32/h2-4,9-12,14,26H,5-8,13H2,1H3
定義日:2012-08-10
最終更新日:2012-09-28
公開日:2012-09-28
識別子（ID）:3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine
99P
99P
表記:D-phenylalanyl-N-(pyridin-3-ylmethyl)-L-prolinamide
組成式:C20 H24 N4 O2
SMILES:O=C(NCc1cccnc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:InChI=1S/C20H24N4O2/c21-17(12-15-6-2-1-3-7-15)20(26)24-11-5-9-18(24)19(25)23-14-16-8-4-10-22-13-16/h1-4,6-8,10,13,17-18H,5,9,11-12,14,21H2,(H,23,25)/t17-,18+/m1/s1
定義日:2010-10-19
最終更新日:2012-09-12
識別子（ID）:D-phenylalanyl-N-(pyridin-3-ylmethyl)-L-prolinamide
0OT
0OT
表記:2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one
組成式:C21 H23 Br2 N3 O2
SMILES:Brc1cc(c(OCC)c(Br)c1)CNCCCNC3=CC(=O)c2c(cccc2)N3
InChi:InChI=1S/C21H23Br2N3O2/c1-2-28-21-14(10-15(22)11-17(21)23)13-24-8-5-9-25-20-12-19(27)16-6-3-4-7-18(16)26-20/h3-4,6-7,10-12,24H,2,5,8-9,13H2,1H3,(H2,25,26,27)
定義日:2012-04-04
最終更新日:2012-09-07
公開日:2012-09-07
識別子（ID）:2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one
0OU
0OU
表記:2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one
組成式:C19 H19 Cl2 N3 O
SMILES:Clc1cc(cc(Cl)c1)CNCCCNC3=CC(=O)c2c(cccc2)N3
InChi:InChI=1S/C19H19Cl2N3O/c20-14-8-13(9-15(21)10-14)12-22-6-3-7-23-19-11-18(25)16-4-1-2-5-17(16)24-19/h1-2,4-5,8-11,22H,3,6-7,12H2,(H2,23,24,25)
定義日:2012-04-04
最終更新日:2012-09-07
公開日:2012-09-07
識別子（ID）:2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one
0P6
0P6
表記:2-aminoquinolin-8-ol
組成式:C9 H8 N2 O
SMILES:Oc1cccc2ccc(nc12)N
InChi:InChI=1S/C9H8N2O/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h1-5,12H,(H2,10,11)
定義日:2012-04-05
最終更新日:2012-09-07
公開日:2012-09-07
識別子（ID）:2-aminoquinolin-8-ol
0P8
0P8
表記:2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one
組成式:C20 H21 Br2 N3 O2
SMILES:Brc1cc(c(OC)c(Br)c1)CNCCCNC3=CC(=O)c2c(cccc2)N3
InChi:InChI=1S/C20H21Br2N3O2/c1-27-20-13(9-14(21)10-16(20)22)12-23-7-4-8-24-19-11-18(26)15-5-2-3-6-17(15)25-19/h2-3,5-6,9-11,23H,4,7-8,12H2,1H3,(H2,24,25,26)
定義日:2012-04-05
最終更新日:2012-09-07
公開日:2012-09-07
識別子（ID）:2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one
TQU
TQU
表記:4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine
組成式:C11 H9 N5
SMILES:n1ccc(c2cc(N)ccc12)n3ncnc3
InChi:InChI=1S/C11H9N5/c12-8-1-2-10-9(5-8)11(3-4-14-10)16-7-13-6-15-16/h1-7H,12H2
定義日:2012-07-20
最終更新日:2012-08-31
公開日:2012-08-31
識別子（ID）:4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine
TZM
TZM
表記:3-(1H-1,2,4-triazol-1-ylmethyl)aniline
組成式:C9 H10 N4
SMILES:n1cn(nc1)Cc2cc(N)ccc2
InChi:InChI=1S/C9H10N4/c10-9-3-1-2-8(4-9)5-13-7-11-6-12-13/h1-4,6-7H,5,10H2
定義日:2012-07-23
最終更新日:2012-08-31
公開日:2012-08-31
識別子（ID）:3-(1H-1,2,4-triazol-1-ylmethyl)aniline
0RU
0RU
表記:8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one
組成式:C14 H12 N4 O S
SMILES:O=C2N=C(Nc1c(cccc12)C)CSc3ncccn3
InChi:InChI=1S/C14H12N4OS/c1-9-4-2-5-10-12(9)17-11(18-13(10)19)8-20-14-15-6-3-7-16-14/h2-7H,8H2,1H3,(H,17,18,19)
定義日:2012-05-07
最終更新日:2012-08-31
公開日:2012-08-31
識別子（ID）:8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one
0T7
0T7
表記:3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline
組成式:C25 H24 N4 O
SMILES:n4c3c(ccc(OCc1nc2c(cc1)cccc2)c3)n5c(c4C)c(nc5CCC)C
InChi:InChI=1S/C25H24N4O/c1-4-7-24-27-17(3)25-16(2)26-22-14-20(12-13-23(22)29(24)25)30-15-19-11-10-18-8-5-6-9-21(18)28-19/h5-6,8-14H,4,7,15H2,1-3H3
定義日:2012-05-31
最終更新日:2012-08-31
公開日:2012-08-31
識別子（ID）:3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon