Chemie Search results for query - 日本蛋白质结构数据库

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 5215 results BIRD

QHI

QHI
Name:	(4R)-6,8-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C19 H14 Cl2 N2 O2
SMILES:	Clc1cc(Cl)c2OCCC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H14Cl2N2O2/c20-12-7-15-14(5-6-25-18(15)16(21)8-12)19(24)23-17-10-22-9-11-3-1-2-4-13(11)17/h1-4,7-10,14H,5-6H2,(H,23,24)/t14-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6,8-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QHU

QHU
Name:	(4R)-6,7-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C19 H14 Cl2 N2 O2
SMILES:	Clc1cc2c(cc1Cl)OCCC2C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H14Cl2N2O2/c20-15-7-14-13(5-6-25-18(14)8-16(15)21)19(24)23-17-10-22-9-11-3-1-2-4-12(11)17/h1-4,7-10,13H,5-6H2,(H,23,24)/t13-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6,7-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QI4

QI4
Name:	(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide
Formula:	C18 H14 Cl2 N2 O
SMILES:	Clc1ccc(cc1Cl)C(C)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C18H14Cl2N2O/c1-11(12-6-7-15(19)16(20)8-12)18(23)22-17-10-21-9-13-4-2-3-5-14(13)17/h2-11H,1H3,(H,22,23)/t11-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide

QI7

QI7
Name:	(4R)-6-chloro-1-[(1H-imidazol-2-yl)methyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:	C23 H20 Cl N5 O
SMILES:	Clc1ccc2c(c1)C(CCN2Cc1ncc[NH]1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C23H20ClN5O/c24-16-5-6-21-19(11-16)18(7-10-29(21)14-22-26-8-9-27-22)23(30)28-20-13-25-12-15-3-1-2-4-17(15)20/h1-6,8-9,11-13,18H,7,10,14H2,(H,26,27)(H,28,30)/t18-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-1-[(1H-imidazol-2-yl)methyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

QIB

QIB
Name:	(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C19 H15 Cl N2 O3
SMILES:	Clc1ccc2OCCC(O)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H15ClN2O3/c20-13-5-6-17-15(9-13)19(24,7-8-25-17)18(23)22-16-11-21-10-12-3-1-2-4-14(12)16/h1-6,9-11,24H,7-8H2,(H,22,23)/t19-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QIM

QIM
Name:	(4R)-6-chloro-N-[6-(methanesulfonyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C20 H17 Cl N2 O4 S
SMILES:	CS(=O)(=O)c1cc2c(cc1)cncc2NC(=O)C1CCOc2ccc(Cl)cc21
InChi:	InChI=1S/C20H17ClN2O4S/c1-28(25,26)14-4-2-12-10-22-11-18(16(12)9-14)23-20(24)15-6-7-27-19-5-3-13(21)8-17(15)19/h2-5,8-11,15H,6-7H2,1H3,(H,23,24)/t15-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-[6-(methanesulfonyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QIQ

QIQ
Name:	2-(5-chloropyridin-3-yl)-N-(isoquinolin-4-yl)acetamide
Formula:	C16 H12 Cl N3 O
SMILES:	Clc1cc(CC(=O)Nc2cncc3ccccc32)cnc1
InChi:	InChI=1S/C16H12ClN3O/c17-13-5-11(7-18-9-13)6-16(21)20-15-10-19-8-12-3-1-2-4-14(12)15/h1-5,7-10H,6H2,(H,20,21)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(5-chloropyridin-3-yl)-N-(isoquinolin-4-yl)acetamide

QIT

QIT
Name:	(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(methylamino)acetamide
Formula:	C18 H15 Cl2 N3 O
SMILES:	Clc1ccc(cc1Cl)C(NC)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C18H15Cl2N3O/c1-21-17(11-6-7-14(19)15(20)8-11)18(24)23-16-10-22-9-12-4-2-3-5-13(12)16/h2-10,17,21H,1H3,(H,23,24)/t17-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(methylamino)acetamide

QIZ

QIZ
Name:	(4R)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C19 H14 Cl F N2 O2
SMILES:	Clc1cc2c(cc1F)OCCC2C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H14ClFN2O2/c20-15-7-14-13(5-6-25-18(14)8-16(15)21)19(24)23-17-10-22-9-11-3-1-2-4-12(11)17/h1-4,7-10,13H,5-6H2,(H,23,24)/t13-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QJ6

QJ6
Name:	(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-methoxyacetamide
Formula:	C18 H14 Cl2 N2 O2
SMILES:	Clc1ccc(cc1Cl)C(OC)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C18H14Cl2N2O2/c1-24-17(11-6-7-14(19)15(20)8-11)18(23)22-16-10-21-9-12-4-2-3-5-13(12)16/h2-10,17H,1H3,(H,22,23)/t17-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-methoxyacetamide

QJF

QJF
Name:	(4R)-6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C20 H17 Cl N2 O3
SMILES:	COc1cc2c(cc1)cncc2NC(=O)C1CCOc2ccc(Cl)cc21
InChi:	InChI=1S/C20H17ClN2O3/c1-25-14-4-2-12-10-22-11-18(16(12)9-14)23-20(24)15-6-7-26-19-5-3-13(21)8-17(15)19/h2-5,8-11,15H,6-7H2,1H3,(H,23,24)/t15-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QJL

QJL
Name:	(4R)-6-chloro-4-{[(N,N-dimethylglycyl)amino]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C24 H25 Cl N4 O3
SMILES:	CN(C)CC(=O)NCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C24H25ClN4O3/c1-29(2)14-22(30)27-15-24(9-10-32-21-8-7-17(25)11-19(21)24)23(31)28-20-13-26-12-16-5-3-4-6-18(16)20/h3-8,11-13H,9-10,14-15H2,1-2H3,(H,27,30)(H,28,31)/t24-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-4-{[(N,N-dimethylglycyl)amino]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QK3

QK3
Name:	(4R)-6-chloro-4-{[2-(1H-imidazol-1-yl)acetamido]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C25 H22 Cl N5 O3
SMILES:	Clc1ccc2OCCC(CNC(=O)Cn3ccnc3)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C25H22ClN5O3/c26-18-5-6-22-20(11-18)25(7-10-34-22,15-29-23(32)14-31-9-8-27-16-31)24(33)30-21-13-28-12-17-3-1-2-4-19(17)21/h1-6,8-9,11-13,16H,7,10,14-15H2,(H,29,32)(H,30,33)/t25-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-4-{[2-(1H-imidazol-1-yl)acetamido]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QKB

QKB
Name:	(4R)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C19 H14 Cl F N2 O2
SMILES:	Fc1cc2c(cc1)cncc2NC(=O)C1CCOc2ccc(Cl)cc21
InChi:	InChI=1S/C19H14ClFN2O2/c20-12-2-4-18-16(7-12)14(5-6-25-18)19(24)23-17-10-22-9-11-1-3-13(21)8-15(11)17/h1-4,7-10,14H,5-6H2,(H,23,24)/t14-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QKI

QKI
Name:	(2S)-2-(3,4-dichlorophenyl)-2-hydroxy-N-(isoquinolin-4-yl)acetamide
Formula:	C17 H12 Cl2 N2 O2
SMILES:	Clc1ccc(cc1Cl)C(O)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C17H12Cl2N2O2/c18-13-6-5-10(7-14(13)19)16(22)17(23)21-15-9-20-8-11-3-1-2-4-12(11)15/h1-9,16,22H,(H,21,23)/t16-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-2-(3,4-dichlorophenyl)-2-hydroxy-N-(isoquinolin-4-yl)acetamide

QKR

QKR
Name:	2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide
Formula:	C17 H10 Cl2 F2 N2 O
SMILES:	Clc1ccc(cc1Cl)C(F)(F)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C17H10Cl2F2N2O/c18-13-6-5-11(7-14(13)19)17(20,21)16(24)23-15-9-22-8-10-3-1-2-4-12(10)15/h1-9H,(H,23,24)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide

QL3

QL3
Name:	N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide
Formula:	C25 H21 Cl N4 O2
SMILES:	O=C(C)Nc1ccc(cn1)N(Cc1cccc(Cl)c1)C(=O)Cc1cncc2ccccc21
InChi:	InChI=1S/C25H21ClN4O2/c1-17(31)29-24-10-9-22(15-28-24)30(16-18-5-4-7-21(26)11-18)25(32)12-20-14-27-13-19-6-2-3-8-23(19)20/h2-11,13-15H,12,16H2,1H3,(H,28,29,31)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide

QLC

QLC
Name:	(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide
Formula:	C20 H18 Cl2 N2 O3
SMILES:	Clc1ccc(cc1Cl)C(OCCOC)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C20H18Cl2N2O3/c1-26-8-9-27-19(13-6-7-16(21)17(22)10-13)20(25)24-18-12-23-11-14-4-2-3-5-15(14)18/h2-7,10-12,19H,8-9H2,1H3,(H,24,25)/t19-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide

QLO

QLO
Name:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C22 H20 Cl N3 O3
SMILES:	CNC(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C22H20ClN3O3/c1-24-20(27)11-22(8-9-29-19-7-6-15(23)10-17(19)22)21(28)26-18-13-25-12-14-4-2-3-5-16(14)18/h2-7,10,12-13H,8-9,11H2,1H3,(H,24,27)(H,26,28)/t22-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QM3

QM3
Name:	(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione
Formula:	C21 H15 Cl N2 O3
SMILES:	Clc1ccc2OCCC3(CC(=O)N(C3=O)c3cncc4ccccc43)c2c1
InChi:	InChI=1S/C21H15ClN2O3/c22-14-5-6-18-16(9-14)21(7-8-27-18)10-19(25)24(20(21)26)17-12-23-11-13-3-1-2-4-15(13)17/h1-6,9,11-12H,7-8,10H2/t21-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione

QM9

QM9
Name:	(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C19 H16 Cl N3 O2
SMILES:	Clc1ccc2OCCC(N)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H16ClN3O2/c20-13-5-6-17-15(9-13)19(21,7-8-25-17)18(24)23-16-11-22-10-12-3-1-2-4-14(12)16/h1-6,9-11H,7-8,21H2,(H,23,24)/t19-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QML

QML
Name:	(3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:	C21 H17 Cl N2 O3
SMILES:	CCC(=O)N(c1cncc2ccccc21)C(=O)C1COc2ccc(Cl)cc21
InChi:	InChI=1S/C21H17ClN2O3/c1-2-20(25)24(18-11-23-10-13-5-3-4-6-15(13)18)21(26)17-12-27-19-8-7-14(22)9-16(17)19/h3-11,17H,2,12H2,1H3/t17-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide

QMX

QMX
Name:	(4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C25 H24 Cl N5 O2
SMILES:	Cn1ccc(n1)CNCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C25H24ClN5O2/c1-31-10-8-19(30-31)14-28-16-25(9-11-33-23-7-6-18(26)12-21(23)25)24(32)29-22-15-27-13-17-4-2-3-5-20(17)22/h2-8,10,12-13,15,28H,9,11,14,16H2,1H3,(H,29,32)/t25-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QN9

QN9
Name:	(4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C28 H31 Cl N4 O4
SMILES:	OCCCN1CCN(CC1)C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C28H31ClN4O4/c29-21-6-7-25-23(16-21)28(8-15-37-25,17-26(35)33-12-10-32(11-13-33)9-3-14-34)27(36)31-24-19-30-18-20-4-1-2-5-22(20)24/h1-2,4-7,16,18-19,34H,3,8-15,17H2,(H,31,36)/t28-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QNU

QNU
Name:	(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:	C19 H16 Cl N3 O
SMILES:	Clc1ccc2CNCC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H16ClN3O/c20-14-6-5-13-9-21-10-17(16(13)7-14)19(24)23-18-11-22-8-12-3-1-2-4-15(12)18/h1-8,11,17,21H,9-10H2,(H,23,24)/t17-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

<8 9 10 11 12 13 141516 17 18 19 20 21 22 23 >

222415

数据于2024-07-10公开中

PDB statistics

PDBj update info

Contact PDBj

numon