Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
WED
WED
Name:{(1R,2S)-2-[(2-chlorophenyl)methyl]-1-hydroxycyclohexyl}acetic acid
Formula:C15 H19 Cl O3
SMILES:OC1(CC(=O)O)CCCCC1Cc1ccccc1Cl
InChi:InChI=1S/C15H19ClO3/c16-13-7-2-1-5-11(13)9-12-6-3-4-8-15(12,19)10-14(17)18/h1-2,5,7,12,19H,3-4,6,8-10H2,(H,17,18)/t12-,15+/m0/s1
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:{(1R,2S)-2-[(2-chlorophenyl)methyl]-1-hydroxycyclohexyl}acetic acid
RG6
RG6
Name:2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol
Formula:C8 H3 Cl F6 O S2
SMILES:Oc1c(SC(F)(F)F)cc(cc1Cl)SC(F)(F)F
InChi:InChI=1S/C8H3ClF6OS2/c9-4-1-3(17-7(10,11)12)2-5(6(4)16)18-8(13,14)15/h1-2,16H
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol
WEN
WEN
Name:[5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]acetic acid
Formula:C13 H19 N O3
SMILES:O=C(O)Cc1nc(oc1C)C1(C)CCCCC1
InChi:InChI=1S/C13H19NO3/c1-9-10(8-11(15)16)14-12(17-9)13(2)6-4-3-5-7-13/h3-8H2,1-2H3,(H,15,16)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:[5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]acetic acid
VIY
VIY
Name:(1R,2S,4R)-2-(3-chlorobenzamido)-4-phenoxycyclohexane-1-carboxylic acid
Formula:C20 H20 Cl N O4
SMILES:Clc1cccc(c1)C(=O)NC1CC(Oc2ccccc2)CCC1C(=O)O
InChi:InChI=1S/C20H20ClNO4/c21-14-6-4-5-13(11-14)19(23)22-18-12-16(9-10-17(18)20(24)25)26-15-7-2-1-3-8-15/h1-8,11,16-18H,9-10,12H2,(H,22,23)(H,24,25)/t16-,17-,18+/m1/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(1R,2S,4R)-2-(3-chlorobenzamido)-4-phenoxycyclohexane-1-carboxylic acid
WER
WER
Name:(3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine
Formula:C21 H22 N6 S
SMILES:Cc1ccsc1c1nc(N(C)C(C)C)c(c2nnn[NH]2)c(c1)c1ccccc1
InChi:InChI=1S/C21H22N6S/c1-13(2)27(4)21-18(20-23-25-26-24-20)16(15-8-6-5-7-9-15)12-17(22-21)19-14(3)10-11-28-19/h5-13H,1-4H3,(H,23,24,25,26)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine
VJ3
VJ3
Name:1-[([1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
Formula:C18 H18 N2 O3
SMILES:OC(=O)C1CCCN1C(=O)Nc1ccccc1c1ccccc1
InChi:InChI=1S/C18H18N2O3/c21-17(22)16-11-6-12-20(16)18(23)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,19,23)(H,21,22)/t16-/m0/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:1-[([1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
WF6
WF6
Name:5-[(2-chlorophenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Formula:C12 H14 Cl N3 O S
SMILES:Sc1nnc(COc2ccccc2Cl)n1C(C)C
InChi:InChI=1S/C12H14ClN3OS/c1-8(2)16-11(14-15-12(16)18)7-17-10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H,15,18)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:5-[(2-chlorophenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
WXZ
WXZ
Name:(1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Formula:C17 H15 Cl O2
SMILES:Clc1ccc(cc1)c1ccc2CCCC(c2c1)C(=O)O
InChi:InChI=1S/C17H15ClO2/c18-14-8-6-11(7-9-14)13-5-4-12-2-1-3-15(17(19)20)16(12)10-13/h4-10,15H,1-3H2,(H,19,20)/t15-/m1/s1
Definition date:2023-05-23
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
S8X
S8X
Name:5-benzyl-4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-thiol
Formula:C15 H16 N4 S
SMILES:Cc1ccc(C)n1n1c(nnc1S)Cc1ccccc1
InChi:InChI=1S/C15H16N4S/c1-11-8-9-12(2)18(11)19-14(16-17-15(19)20)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,20)
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:5-benzyl-4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-thiol
WFO
WFO
Name:(2R)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid
Formula:C17 H16 N2 O3 S
SMILES:O=C(O)C(CC)N1C=Nc2sc(C)c(c2C1=O)c1ccccc1
InChi:InChI=1S/C17H16N2O3S/c1-3-12(17(21)22)19-9-18-15-14(16(19)20)13(10(2)23-15)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3,(H,21,22)/t12-/m1/s1
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(2R)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid
WFX
WFX
Name:4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid
Formula:C20 H19 F2 N3 O5 S
SMILES:O=C(O)C=1COCCC=1C(=O)Nc1sc2CC(F)(F)CCc2c1c1nc(no1)C1CC1
InChi:InChI=1S/C20H19F2N3O5S/c21-20(22)5-3-11-13(7-20)31-18(14(11)17-23-15(25-30-17)9-1-2-9)24-16(26)10-4-6-29-8-12(10)19(27)28/h9H,1-8H2,(H,24,26)(H,27,28)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid
WG3
WG3
Name:2-{[(2M)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Formula:C18 H17 N3 O4
SMILES:O=C(O)C=1CCCC=1C(=O)Nc1ccccc1c1nc(no1)C1CC1
InChi:InChI=1S/C18H17N3O4/c22-16(11-5-3-6-12(11)18(23)24)19-14-7-2-1-4-13(14)17-20-15(21-25-17)10-8-9-10/h1-2,4,7,10H,3,5-6,8-9H2,(H,19,22)(H,23,24)
Definition date:2023-05-12
Last modified:2023-06-09
Release date:2023-06-14
Identifier:2-{[(2M)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
RI4
RI4
Name:(3P)-2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
Formula:C21 H23 N5 O
SMILES:C1CCCCc2c1nc(C1CCCO1)c(c1nnn[NH]1)c2c1ccccc1
InChi:InChI=1S/C21H23N5O/c1-3-8-14(9-4-1)18-15-10-5-2-6-11-16(15)22-20(17-12-7-13-27-17)19(18)21-23-25-26-24-21/h1,3-4,8-9,17H,2,5-7,10-13H2,(H,23,24,25,26)/t17-/m1/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3P)-2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
QBX
QBX
Name:{[(10R)-2-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl]sulfanyl}acetic acid
Formula:C16 H13 Cl O2 S2
SMILES:O=C(O)CSC1Cc2cc(Cl)ccc2Sc2ccccc12
InChi:InChI=1S/C16H13ClO2S2/c17-11-5-6-13-10(7-11)8-15(20-9-16(18)19)12-3-1-2-4-14(12)21-13/h1-7,15H,8-9H2,(H,18,19)/t15-/m1/s1
Definition date:2023-05-08
Last modified:2023-06-09
Release date:2023-06-14
Identifier:{[(10R)-2-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl]sulfanyl}acetic acid
RJM
RJM
Name:(1S,3R)-3-[([1,1'-biphenyl]-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
Formula:C19 H19 N O3
SMILES:O=C(Nc1ccccc1c1ccccc1)C1C(C(O)=O)C1(C)C
InChi:InChI=1S/C19H19NO3/c1-19(2)15(16(19)18(22)23)17(21)20-14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11,15-16H,1-2H3,(H,20,21)(H,22,23)/t15-,16+/m0/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(1S,3R)-3-[([1,1'-biphenyl]-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
QR7
QR7
Name:10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one
Formula:C24 H28 N8 O2
SMILES:CN1CCOCCNC(=O)c2cn(C)c3ccc(Nc4nccc(n4)n5cc(C1)c(C)n5)cc23
InChi:InChI=1S/C24H28N8O2/c1-16-17-13-30(2)9-11-34-10-8-25-23(33)20-15-31(3)21-5-4-18(12-19(20)21)27-24-26-7-6-22(28-24)32(14-17)29-16/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,25,33)(H,26,27,28)
Definition date:2022-11-11
Last modified:2023-06-09
Release date:2023-06-14
Identifier:10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one
KL3
KL3
Name:(1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Formula:C17 H15 Cl O2
SMILES:Clc1ccc(cc1)c1ccc2CCCC(c2c1)C(=O)O
InChi:InChI=1S/C17H15ClO2/c18-14-8-6-11(7-9-14)13-5-4-12-2-1-3-15(17(19)20)16(12)10-13/h4-10,15H,1-3H2,(H,19,20)/t15-/m1/s1
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
N1I
N1I
Name:3-[5-(3,5-dichlorophenyl)-2H-tetrazol-2-yl]propanoic acid
Formula:C10 H8 Cl2 N4 O2
SMILES:OC(=O)CCn1nc(nn1)c1cc(Cl)cc(Cl)c1
InChi:InChI=1S/C10H8Cl2N4O2/c11-7-3-6(4-8(12)5-7)10-13-15-16(14-10)2-1-9(17)18/h3-5H,1-2H2,(H,17,18)
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:3-[5-(3,5-dichlorophenyl)-2H-tetrazol-2-yl]propanoic acid
QD6
QD6
Name:(2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid
Formula:C26 H29 Cl N4 O3
SMILES:Cn1cc(Cn2c(C)cc3c(c4ccc(Cl)cc4)c(C(OC(C)(C)C)C(=O)O)c(C)nc23)cn1
InChi:InChI=1S/C26H29ClN4O3/c1-15-11-20-22(18-7-9-19(27)10-8-18)21(23(25(32)33)34-26(3,4)5)16(2)29-24(20)31(15)14-17-12-28-30(6)13-17/h7-13,23H,14H2,1-6H3,(H,32,33)/t23-/m0/s1
Definition date:2022-06-07
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid
KLX
KLX
Name:(1R,2S,4S)-2-[(3-chlorophenoxy)methyl]-4-phenoxycyclohexane-1-carboxylic acid
Formula:C20 H21 Cl O4
SMILES:Clc1cccc(c1)OCC1CC(Oc2ccccc2)CCC1C(=O)O
InChi:InChI=1S/C20H21ClO4/c21-15-5-4-8-17(12-15)24-13-14-11-18(9-10-19(14)20(22)23)25-16-6-2-1-3-7-16/h1-8,12,14,18-19H,9-11,13H2,(H,22,23)/t14-,18+,19-/m1/s1
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(1R,2S,4S)-2-[(3-chlorophenoxy)methyl]-4-phenoxycyclohexane-1-carboxylic acid
R80
R80
Name:(5S)-6-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazinane-1,1,3-trione
Formula:C11 H12 Cl2 N2 O3 S
SMILES:O=C1CC(C)N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)N1
InChi:InChI=1S/C11H12Cl2N2O3S/c1-7-4-11(16)14-19(17,18)15(7)6-8-2-3-9(12)10(13)5-8/h2-3,5,7H,4,6H2,1H3,(H,14,16)/t7-/m0/s1
Definition date:2023-05-08
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(5S)-6-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazinane-1,1,3-trione
OT9
OT9
Name:(5R)-4-hydroxy-3-[3-(3-methoxyphenyl)propyl]-5-(2-phenylethyl)furan-2(5H)-one
Formula:C22 H24 O4
SMILES:COc1cccc(c1)CCCC=1C(=O)OC(CCc2ccccc2)C=1O
InChi:InChI=1S/C22H24O4/c1-25-18-11-5-9-17(15-18)10-6-12-19-21(23)20(26-22(19)24)14-13-16-7-3-2-4-8-16/h2-5,7-9,11,15,20,23H,6,10,12-14H2,1H3/t20-/m1/s1
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(5R)-4-hydroxy-3-[3-(3-methoxyphenyl)propyl]-5-(2-phenylethyl)furan-2(5H)-one
R9C
R9C
Name:[(1S)-9-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid
Formula:C22 H23 N O2
SMILES:O=C(O)CC1CCCc2c3cc(C)ccc3n(Cc3ccccc3)c21
InChi:InChI=1S/C22H23NO2/c1-15-10-11-20-19(12-15)18-9-5-8-17(13-21(24)25)22(18)23(20)14-16-6-3-2-4-7-16/h2-4,6-7,10-12,17H,5,8-9,13-14H2,1H3,(H,24,25)/t17-/m0/s1
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:[(1S)-9-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid
R9O
R9O
Name:2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
Formula:C11 H8 Cl N O3 S
SMILES:O=C(O)c1csc(COc2ccccc2Cl)n1
InChi:InChI=1S/C11H8ClNO3S/c12-7-3-1-2-4-9(7)16-5-10-13-8(6-17-10)11(14)15/h1-4,6H,5H2,(H,14,15)
Definition date:2023-05-09
Last modified:2023-06-09
Release date:2023-06-14
Identifier:2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
QG0
QG0
Name:5-[(2-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
Formula:C11 H13 Cl N4 S
SMILES:Sc1nnc(CNc2ccccc2Cl)n1CC
InChi:InChI=1S/C11H13ClN4S/c1-2-16-10(14-15-11(16)17)7-13-9-6-4-3-5-8(9)12/h3-6,13H,2,7H2,1H3,(H,15,17)
Definition date:2023-05-08
Last modified:2023-06-09
Release date:2023-06-14
Identifier:5-[(2-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

223532

数据于2024-08-07公开中

PDB statisticsPDBj update infoContact PDBjnumon