Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
0Y8
0Y8
Name:(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-L-proline
Formula:C14 H13 Br N2 O3
SMILES:O=C(O)C3NCC(Oc1nccc2c1cc(Br)cc2)C3
InChi:InChI=1S/C14H13BrN2O3/c15-9-2-1-8-3-4-16-13(11(8)5-9)20-10-6-12(14(18)19)17-7-10/h1-5,10,12,17H,6-7H2,(H,18,19)/t10-,12+/m1/s1
Definition date:2012-09-12
Last modified:2023-11-03
Release date:2012-12-07
Identifier:(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-L-proline
NMI
NMI
Name:3-(1-methyl-1H-indol-3-yl)propanoic acid
Formula:C12 H13 N O2
SMILES:O=C(O)CCc2c1ccccc1n(c2)C
InChi:InChI=1S/C12H13NO2/c1-13-8-9(6-7-12(14)15)10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3,(H,14,15)
Definition date:2014-04-07
Last modified:2023-11-03
Release date:2014-06-18
Identifier:3-(1-methyl-1H-indol-3-yl)propanoic acid
11Q
11Q
Name:1-(cyclohexylmethyl)-L-proline
Formula:C12 H21 N O2
SMILES:O=C(O)C2N(CC1CCCCC1)CCC2
InChi:InChI=1S/C12H21NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1
Definition date:2012-09-29
Last modified:2023-11-03
Release date:2013-04-03
Identifier:1-(cyclohexylmethyl)-L-proline
NO0
NO0
Name:2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide
Formula:C19 H14 N2 O
SMILES:C#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H14N2O/c1-2-14-6-5-7-15(10-14)11-19(22)21-18-13-20-12-16-8-3-4-9-17(16)18/h1,3-10,12-13H,11H2,(H,21,22)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide
NSR
NSR
Name:(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C19 H15 Cl N2 O2
SMILES:Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H15ClN2O2/c20-13-5-6-18-16(9-13)15(7-8-24-18)19(23)22-17-11-21-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,22,23)/t15-/m1/s1
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
NUR
NUR
Name:2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide
Formula:C18 H15 Cl N2 O
SMILES:Clc1cccc(c1)CC(=O)N(C)c1cncc2ccccc21
InChi:InChI=1S/C18H15ClN2O/c1-21(18(22)10-13-5-4-7-15(19)9-13)17-12-20-11-14-6-2-3-8-16(14)17/h2-9,11-12H,10H2,1H3
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide
NZK
NZK
Name:2-(4-acetylpiperazin-1-yl)-N-(isoquinolin-4-yl)acetamide
Formula:C17 H20 N4 O2
SMILES:O=C(CN1CCN(CC1)C(C)=O)Nc1cncc2ccccc21
InChi:InChI=1S/C17H20N4O2/c1-13(22)21-8-6-20(7-9-21)12-17(23)19-16-11-18-10-14-4-2-3-5-15(14)16/h2-5,10-11H,6-9,12H2,1H3,(H,19,23)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(4-acetylpiperazin-1-yl)-N-(isoquinolin-4-yl)acetamide
O5C
O5C
Name:1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one
Formula:C18 H14 F N O2
SMILES:Fc1ccc(cc1)C(=O)c1c(C)c(c2ccccn12)C(C)=O
InChi:InChI=1S/C18H14FNO2/c1-11-16(12(2)21)15-5-3-4-10-20(15)17(11)18(22)13-6-8-14(19)9-7-13/h3-10H,1-2H3
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one
O87
O87
Name:4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one
Formula:C21 H18 F3 N3 O2
SMILES:O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1cc(ccc1)C(F)(F)F
InChi:InChI=1S/C21H18F3N3O2/c22-21(23,24)14-4-3-5-15(12-14)26-8-10-27(11-9-26)20(29)17-13-19(28)25-18-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2,(H,25,28)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one
O9O
O9O
Name:N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide
Formula:C23 H18 Cl N3 O3
SMILES:COc1cccc(Oc2cc(NC(=O)Cc3cncc4ccccc43)cc(Cl)c2)n1
InChi:InChI=1S/C23H18ClN3O3/c1-29-22-7-4-8-23(27-22)30-19-11-17(24)10-18(12-19)26-21(28)9-16-14-25-13-15-5-2-3-6-20(15)16/h2-8,10-14H,9H2,1H3,(H,26,28)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide
OEO
OEO
Name:N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide
Formula:C24 H23 N3 O S
SMILES:O=C(Cc1cncc2ccccc21)N(Cc1ccsc1)c1ccc(cc1)N(C)C
InChi:InChI=1S/C24H23N3OS/c1-26(2)21-7-9-22(10-8-21)27(16-18-11-12-29-17-18)24(28)13-20-15-25-14-19-5-3-4-6-23(19)20/h3-12,14-15,17H,13,16H2,1-2H3
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide
OGO
OGO
Name:4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one
Formula:C20 H18 N2 O4
SMILES:O=C(C1=CC(=O)Nc2ccccc21)N1CC(Oc2ccccc2OC)C1
InChi:InChI=1S/C20H18N2O4/c1-25-17-8-4-5-9-18(17)26-13-11-22(12-13)20(24)15-10-19(23)21-16-7-3-2-6-14(15)16/h2-10,13H,11-12H2,1H3,(H,21,23)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one
OIE
OIE
Name:2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
Formula:C16 H12 Cl N3 O
SMILES:O=C(Cc1cc(Cl)ccn1)Nc1cncc2ccccc21
InChi:InChI=1S/C16H12ClN3O/c17-12-5-6-19-13(7-12)8-16(21)20-15-10-18-9-11-3-1-2-4-14(11)15/h1-7,9-10H,8H2,(H,20,21)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
OIK
OIK
Name:(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone
Formula:C20 H19 N3 O
SMILES:O=C(c1cncc2ccccc21)N1CCN(CC1)c1ccccc1
InChi:InChI=1S/C20H19N3O/c24-20(19-15-21-14-16-6-4-5-9-18(16)19)23-12-10-22(11-13-23)17-7-2-1-3-8-17/h1-9,14-15H,10-13H2
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone
OIX
OIX
Name:N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide
Formula:C19 H18 N2 O3
SMILES:COc1ccccc1OCCNC(=O)c1cncc2ccccc21
InChi:InChI=1S/C19H18N2O3/c1-23-17-8-4-5-9-18(17)24-11-10-21-19(22)16-13-20-12-14-6-2-3-7-15(14)16/h2-9,12-13H,10-11H2,1H3,(H,21,22)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide
OJ9
OJ9
Name:2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide
Formula:C19 H13 Cl N2 O2
SMILES:Clc1cc2ccoc2c(c1)CC(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H13ClN2O2/c20-15-7-12-5-6-24-19(12)14(8-15)9-18(23)22-17-11-21-10-13-3-1-2-4-16(13)17/h1-8,10-11H,9H2,(H,22,23)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide
OK9
OK9
Name:N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
Formula:C16 H16 N2 O3 S2
SMILES:O=CC(NC(=O)c1cccs1)=Cc1ccc(s1)N1CCOCC1
InChi:InChI=1S/C16H16N2O3S2/c19-11-12(17-16(20)14-2-1-9-22-14)10-13-3-4-15(23-13)18-5-7-21-8-6-18/h1-4,9-11H,5-8H2,(H,17,20)/b12-10-
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
ONU
ONU
Name:4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one
Formula:C20 H19 N3 O3
SMILES:O=C(C1=CC(=O)Nc2ccccc21)N1CC(Nc2ccccc2OC)C1
InChi:InChI=1S/C20H19N3O3/c1-26-18-9-5-4-8-17(18)21-13-11-23(12-13)20(25)15-10-19(24)22-16-7-3-2-6-14(15)16/h2-10,13,21H,11-12H2,1H3,(H,22,24)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one
OO6
OO6
Name:(3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C20 H17 Cl N2 O2
SMILES:Clc1ccc2OCC(C)C(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H17ClN2O2/c1-12-11-25-18-7-6-14(21)8-16(18)19(12)20(24)23-17-10-22-9-13-4-2-3-5-15(13)17/h2-10,12,19H,11H2,1H3,(H,23,24)/t12-,19-/m1/s1
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OQL
OQL
Name:(4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:C19 H16 Cl N3 O
SMILES:Clc1ccc2NCCC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H16ClN3O/c20-13-5-6-17-16(9-13)15(7-8-22-17)19(24)23-18-11-21-10-12-3-1-2-4-14(12)18/h1-6,9-11,15,22H,7-8H2,(H,23,24)/t15-/m1/s1
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
OSI
OSI
Name:(4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C20 H17 Cl N2 O2
SMILES:Clc1ccc2OCCC(C)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H17ClN2O2/c1-20(8-9-25-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m1/s1
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OUF
OUF
Name:N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea
Formula:C22 H27 N3 O4
SMILES:O=C1c2ccccc2C(=CN1C)NC(=O)N(CCCOC(C)C)Cc1ccco1
InChi:InChI=1S/C22H27N3O4/c1-16(2)28-13-7-11-25(14-17-8-6-12-29-17)22(27)23-20-15-24(3)21(26)19-10-5-4-9-18(19)20/h4-6,8-10,12,15-16H,7,11,13-14H2,1-3H3,(H,23,27)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea
OVX
OVX
Name:1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one
Formula:C20 H16 Cl N3 O2
SMILES:O=C(c1cncc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1
InChi:InChI=1S/C20H16ClN3O2/c21-15-5-3-6-16(10-15)24-9-8-23(13-19(24)25)20(26)18-12-22-11-14-4-1-2-7-17(14)18/h1-7,10-12H,8-9,13H2
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one
OWC
OWC
Name:(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
Formula:C20 H17 Cl N2 O
SMILES:Clc1cccc(c1)C1CCCN(c2cncc3ccccc23)C1=O
InChi:InChI=1S/C20H17ClN2O/c21-16-7-3-6-14(11-16)18-9-4-10-23(20(18)24)19-13-22-12-15-5-1-2-8-17(15)19/h1-3,5-8,11-13,18H,4,9-10H2/t18-/m0/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
OYX
OYX
Name:N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide
Formula:C24 H28 N2 O S
SMILES:O=C(Cc1cncc2ccccc21)N(CCC1CCCCC1)Cc1cccs1
InChi:InChI=1S/C24H28N2OS/c27-24(15-21-17-25-16-20-9-4-5-11-23(20)21)26(18-22-10-6-14-28-22)13-12-19-7-2-1-3-8-19/h4-6,9-11,14,16-17,19H,1-3,7-8,12-13,15,18H2
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide

224931

数据于2024-09-11公开中

PDB statisticsPDBj update infoContact PDBjnumon