Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
JHJ
JHJ
Name:N-(4-methoxyphenyl)-N'-pyridin-4-ylurea
Formula:C13 H13 N3 O2
SMILES:C(=O)(Nc1ccncc1)Nc2ccc(cc2)OC
InChi:InChI=1S/C13H13N3O2/c1-18-12-4-2-10(3-5-12)15-13(17)16-11-6-8-14-9-7-11/h2-9H,1H3,(H2,14,15,16,17)
Definition date:2018-09-10
Last modified:2018-10-05
Release date:2018-10-10
Identifier:N-(4-methoxyphenyl)-N'-pyridin-4-ylurea
JHP
JHP
Name:4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
Formula:C10 H14 Cl N3 O
SMILES:C2(NC(c1c(cn(C)n1)Cl)=O)CCCC2
InChi:InChI=1S/C10H14ClN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)
Definition date:2018-09-10
Last modified:2018-10-05
Release date:2018-10-10
Identifier:4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
JHS
JHS
Name:N-[(4-phenyloxan-4-yl)methyl]acetamide
Formula:C14 H19 N O2
SMILES:C1OCCC(CNC(C)=O)(C1)c2ccccc2
InChi:InChI=1S/C14H19NO2/c1-12(16)15-11-14(7-9-17-10-8-14)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,15,16)
Definition date:2018-09-10
Last modified:2018-10-05
Release date:2018-10-10
Identifier:N-[(4-phenyloxan-4-yl)methyl]acetamide
JHV
JHV
Name:4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine
Formula:C11 H10 Cl N3
SMILES:c1(ccncc1)Nc2ccc(cc2N)Cl
InChi:InChI=1S/C11H10ClN3/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15)
Definition date:2018-09-10
Last modified:2018-10-05
Release date:2018-10-10
Identifier:4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine
JJ4
JJ4
Name:3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
Formula:C12 H18 N2 O S
SMILES:C(C(Nc1ncc(C)s1)=O)CC2CCCC2
InChi:InChI=1S/C12H18N2OS/c1-9-8-13-12(16-9)14-11(15)7-6-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H,13,14,15)
Definition date:2018-09-10
Last modified:2018-10-05
Release date:2018-10-10
Identifier:3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
JJ7
JJ7
Name:1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one
Formula:C10 H20 N2 O2
SMILES:CC(N1CCC(CC1)NCCOC)=O
InChi:InChI=1S/C10H20N2O2/c1-9(13)12-6-3-10(4-7-12)11-5-8-14-2/h10-11H,3-8H2,1-2H3
Definition date:2018-09-10
Last modified:2018-10-05
Release date:2018-10-10
Identifier:1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one
JJM
JJM
Name:1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C13 H13 N5
SMILES:c32c(Nc1cccc(C)c1)ncnc2n(nc3)C
InChi:InChI=1S/C13H13N5/c1-9-4-3-5-10(6-9)17-12-11-7-16-18(2)13(11)15-8-14-12/h3-8H,1-2H3,(H,14,15,17)
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
JJP
JJP
Name:(2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol
Formula:C15 H18 N2 O
SMILES:c1c2c4c(n(C)c2ccc1)C3C(CNC(C3)C4)O
InChi:InChI=1S/C15H18N2O/c1-17-13-5-3-2-4-10(13)11-6-9-7-12(15(11)17)14(18)8-16-9/h2-5,9,12,14,16,18H,6-8H2,1H3/t9-,12+,14-/m1/s1
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:(2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol
JK7
JK7
Name:N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide
Formula:C15 H17 N O3
SMILES:C4C(C(NC1C(C2c3ccccc3C1O2)O)=O)CC4
InChi:InChI=1S/C15H17NO3/c17-12-11(16-15(18)8-4-3-5-8)13-9-6-1-2-7-10(9)14(12)19-13/h1-2,6-8,11-14,17H,3-5H2,(H,16,18)/t11-,12-,13-,14+/m0/s1
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide
JKA
JKA
Name:(1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol
Formula:C9 H17 N O4 S
SMILES:C1C2C(CN(S(C)(=O)=O)C1CCC2O)O
InChi:InChI=1S/C9H17NO4S/c1-15(13,14)10-5-9(12)7-4-6(10)2-3-8(7)11/h6-9,11-12H,2-5H2,1H3/t6-,7-,8+,9-/m0/s1
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:(1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol
JKJ
JKJ
Name:(1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol
Formula:C10 H19 N O4 S
SMILES:COCC1C2(CCC(N1S(=O)(C)=O)CC2)O
InChi:InChI=1S/C10H19NO4S/c1-15-7-9-10(12)5-3-8(4-6-10)11(9)16(2,13)14/h8-9,12H,3-7H2,1-2H3/t8-,9-,10-/m1/s1
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:(1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol
JKP
JKP
Name:2,6-dichloropyridine-4-carboxylic acid
Formula:C6 H3 Cl2 N O2
SMILES:OC(c1cc(nc(c1)Cl)Cl)=O
InChi:InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11)
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:2,6-dichloropyridine-4-carboxylic acid
JKS
JKS
Name:5-(pyrrolidin-1-yl)pyridine-2-carbonitrile
Formula:C10 H11 N3
SMILES:C1CCCN1c2ccc(C#N)nc2
InChi:InChI=1S/C10H11N3/c11-7-9-3-4-10(8-12-9)13-5-1-2-6-13/h3-4,8H,1-2,5-6H2
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:5-(pyrrolidin-1-yl)pyridine-2-carbonitrile
JKY
JKY
Name:N-[(4-chlorophenyl)methyl]methanesulfonamide
Formula:C8 H10 Cl N O2 S
SMILES:c1(ccc(cc1)CNS(C)(=O)=O)Cl
InChi:InChI=1S/C8H10ClNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:N-[(4-chlorophenyl)methyl]methanesulfonamide
JL1
JL1
Name:2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid
Formula:C13 H11 N O2 S
SMILES:c2cnc(Sc1ccc(cc1)C)c(C(=O)O)c2
InChi:InChI=1S/C13H11NO2S/c1-9-4-6-10(7-5-9)17-12-11(13(15)16)3-2-8-14-12/h2-8H,1H3,(H,15,16)
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid
JL4
JL4
Name:5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
Formula:C9 H7 N O2 S2
SMILES:c2(ccc(c1nc(C)sc1)s2)C(=O)O
InChi:InChI=1S/C9H7NO2S2/c1-5-10-6(4-13-5)7-2-3-8(14-7)9(11)12/h2-4H,1H3,(H,11,12)
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid
JL7
JL7
Name:2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
Formula:C11 H6 F3 N O2 S
SMILES:c1cc(ccc1c2scc(C(=O)O)n2)C(F)(F)F
InChi:InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17/h1-5H,(H,16,17)
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
JLA
JLA
Name:4-(piperidin-1-yl)benzoic acid
Formula:C12 H15 N O2
SMILES:C1CCN(CC1)c2ccc(C(=O)O)cc2
InChi:InChI=1S/C12H15NO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:4-(piperidin-1-yl)benzoic acid
JLD
JLD
Name:[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
Formula:C13 H18 F N O
SMILES:c2(C1CCN(C)CC1CO)ccc(cc2)F
InChi:InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
JLG
JLG
Name:2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid
Formula:C8 H5 N O2 S2
SMILES:c2c(c1scc(C(=O)O)n1)scc2
InChi:InChI=1S/C8H5NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11)
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid
JLM
JLM
Name:3-methyl-1-benzofuran-2-carboxylic acid
Formula:C10 H8 O3
SMILES:c12c(C)c(C(O)=O)oc1cccc2
InChi:InChI=1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:3-methyl-1-benzofuran-2-carboxylic acid
JLY
JLY
Name:4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine
Formula:C14 H13 N O S
SMILES:c23c(C(c1ccc(OC)cc1)=NCC2)ccs3
InChi:InChI=1S/C14H13NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,7,9H,6,8H2,1H3
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine
JMA
JMA
Name:4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol
Formula:C11 H12 Cl2 N2 O
SMILES:c1c(c(Cl)cc2n(CCCCO)cnc12)Cl
InChi:InChI=1S/C11H12Cl2N2O/c12-8-5-10-11(6-9(8)13)15(7-14-10)3-1-2-4-16/h5-7,16H,1-4H2
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol
JMD
JMD
Name:4-(2-hydroxyethyl)benzonitrile
Formula:C9 H9 N O
SMILES:C(c1ccc(CCO)cc1)#N
InChi:InChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:4-(2-hydroxyethyl)benzonitrile
JMG
JMG
Name:5-phenylthiophene-2-carboxylic acid
Formula:C11 H8 O2 S
SMILES:c2c(c1ccc(C(O)=O)s1)cccc2
InChi:InChI=1S/C11H8O2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
Definition date:2018-09-11
Last modified:2018-10-05
Release date:2018-10-10
Identifier:5-phenylthiophene-2-carboxylic acid

226707

数据于2024-10-30公开中

PDB statisticsPDBj update infoContact PDBjnumon