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MWR
MWR
Name:1-[(4-chloro-3-phenoxyphenyl)methyl]-4-hydroxypyridin-2(1H)-one
Formula:C18 H14 Cl N O3
SMILES:Clc1ccc(cc1Oc1ccccc1)CN1C=CC(O)=CC1=O
InChi:InChI=1S/C18H14ClNO3/c19-16-7-6-13(12-20-9-8-14(21)11-18(20)22)10-17(16)23-15-4-2-1-3-5-15/h1-11,21H,12H2
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:1-[(4-chloro-3-phenoxyphenyl)methyl]-4-hydroxypyridin-2(1H)-one
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
OKF
OKF
Name:3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid
Formula:C24 H21 N O2
SMILES:O=C(O)CCn1c2ccc(C)cc2c(c2ccccc2)c1c1ccccc1
InChi:InChI=1S/C24H21NO2/c1-17-12-13-21-20(16-17)23(18-8-4-2-5-9-18)24(19-10-6-3-7-11-19)25(21)15-14-22(26)27/h2-13,16H,14-15H2,1H3,(H,26,27)
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid
OM6
OM6
Name:(2S)-2-cyclohexyl-6-hydroxy-1-benzofuran-3(2H)-one
Formula:C14 H16 O3
SMILES:Oc1ccc2c(c1)OC(C2=O)C1CCCCC1
InChi:InChI=1S/C14H16O3/c15-10-6-7-11-12(8-10)17-14(13(11)16)9-4-2-1-3-5-9/h6-9,14-15H,1-5H2/t14-/m0/s1
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(2S)-2-cyclohexyl-6-hydroxy-1-benzofuran-3(2H)-one
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
P5Z
P5Z
Name:6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid
Formula:C17 H11 Cl2 N O3
SMILES:Clc1ccccc1Oc1c2cc(Cl)ccc2nc(C)c1C(=O)O
InChi:InChI=1S/C17H11Cl2NO3/c1-9-15(17(21)22)16(23-14-5-3-2-4-12(14)19)11-8-10(18)6-7-13(11)20-9/h2-8H,1H3,(H,21,22)
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid
P6X
P6X
Name:3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol
Formula:C10 H7 Cl2 N3 O S
SMILES:Oc1nc(SCc2ccc(Cl)c(Cl)c2)nnc1
InChi:InChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(3-8(7)12)5-17-10-14-9(16)4-13-15-10/h1-4H,5H2,(H,14,15,16)
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol
87B
87B
Name:N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide
Formula:C17 H17 N3 O2 S
SMILES:O=[S](=O)(Nc1ccc2[nH]c(nc2c1)C3CCC3)c4ccccc4
InChi:InChI=1S/C17H17N3O2S/c21-23(22,14-7-2-1-3-8-14)20-13-9-10-15-16(11-13)19-17(18-15)12-5-4-6-12/h1-3,7-12,20H,4-6H2,(H,18,19)
Definition date:2021-10-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:~{N}-(2-cyclobutyl-1~{H}-benzimidazol-5-yl)benzenesulfonamide
O1L
O1L
Name:1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]pyridin-2(1H)-one
Formula:C21 H17 Cl2 N O2
SMILES:Clc1ccc(CN2C=CC(O)=C(C/C=C/c3ccccc3)C2=O)c(Cl)c1
InChi:InChI=1S/C21H17Cl2NO2/c22-17-10-9-16(19(23)13-17)14-24-12-11-20(25)18(21(24)26)8-4-7-15-5-2-1-3-6-15/h1-7,9-13,25H,8,14H2/b7-4+
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]pyridin-2(1H)-one
O6Q
O6Q
Name:5-[(3,4-dichlorophenyl)methyl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione
Formula:C9 H8 Cl2 N2 O3 S
SMILES:O=C1CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)N1
InChi:InChI=1S/C9H8Cl2N2O3S/c10-7-2-1-6(3-8(7)11)4-13-5-9(14)12-17(13,15)16/h1-3H,4-5H2,(H,12,14)
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:5-[(3,4-dichlorophenyl)methyl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione
O9U
O9U
Name:1-[(5-chloro[1,1'-biphenyl]-2-yl)methyl]-4-hydroxy-5,6-dihydropyridin-2(1H)-one
Formula:C18 H16 Cl N O2
SMILES:Clc1ccc(CN2CCC(O)=CC2=O)c(c1)c1ccccc1
InChi:InChI=1S/C18H16ClNO2/c19-15-7-6-14(12-20-9-8-16(21)11-18(20)22)17(10-15)13-4-2-1-3-5-13/h1-7,10-11,21H,8-9,12H2
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:1-[(5-chloro[1,1'-biphenyl]-2-yl)methyl]-4-hydroxy-5,6-dihydropyridin-2(1H)-one
Q0O
Q0O
Name:(6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one
Formula:C19 H14 O3
SMILES:O=C1C=C(O)CC(/C=C2c3ccccc3c3ccccc23)O1
InChi:InChI=1S/C19H14O3/c20-12-9-13(22-19(21)10-12)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10-11,13,20H,9H2/t13-/m0/s1
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one
Q1I
Q1I
Name:(3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine
Formula:C22 H28 N6
SMILES:CC(C)N(C)c1nc(C2CCCC2)c(C)c(c1c1nnn[NH]1)c1ccccc1
InChi:InChI=1S/C22H28N6/c1-14(2)28(4)22-19(21-24-26-27-25-21)18(16-10-6-5-7-11-16)15(3)20(23-22)17-12-8-9-13-17/h5-7,10-11,14,17H,8-9,12-13H2,1-4H3,(H,24,25,26,27)
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine
Q29
Q29
Name:(1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid
Formula:C14 H16 Cl2 O3
SMILES:O=C(O)C1CCCCC1COc1ccc(Cl)c(Cl)c1
InChi:InChI=1S/C14H16Cl2O3/c15-12-6-5-10(7-13(12)16)19-8-9-3-1-2-4-11(9)14(17)18/h5-7,9,11H,1-4,8H2,(H,17,18)/t9-,11-/m1/s1
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid
Q4X
Q4X
Name:5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid
Formula:C20 H19 F2 N3 O5 S
SMILES:O=C(O)C=1CCOCC=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)12-8-29-6-4-10(12)19(27)28/h9H,1-8H2,(H,24,26)(H,27,28)
Definition date:2023-05-05
Last modified:2023-06-09
Release date:2023-06-14
Identifier:5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid
Q6I
Q6I
Name:(3-bromophenyl)[(2Z)-2-(phenylimino)-1,3-thiazepan-3-yl]methanone
Formula:C18 H17 Br N2 O S
SMILES:O=C(N1CCCCSC1=N/c1ccccc1)c1cccc(Br)c1
InChi:InChI=1S/C18H17BrN2OS/c19-15-8-6-7-14(13-15)17(22)21-11-4-5-12-23-18(21)20-16-9-2-1-3-10-16/h1-3,6-10,13H,4-5,11-12H2/b20-18-
Definition date:2023-05-08
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3-bromophenyl)[(2Z)-2-(phenylimino)-1,3-thiazepan-3-yl]methanone
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
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
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
QJD
QJD
Name:[6-(piperidin-1-yl)[1,1'-biphenyl]-3-yl]acetic acid
Formula:C19 H21 N O2
SMILES:O=C(O)Cc1cc(c(cc1)N1CCCCC1)c1ccccc1
InChi:InChI=1S/C19H21NO2/c21-19(22)14-15-9-10-18(20-11-5-2-6-12-20)17(13-15)16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,21,22)
Definition date:2023-05-08
Last modified:2023-06-09
Release date:2023-06-14
Identifier:[6-(piperidin-1-yl)[1,1'-biphenyl]-3-yl]acetic acid
QJQ
QJQ
Name:2-{[(3M)-6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid
Formula:C20 H20 F2 N2 O3 S2
SMILES:O=C(O)C=1CCCCC=1C(=O)Nc1sc2CC(F)(F)CCc2c1c1nc(C)cs1
InChi:InChI=1S/C20H20F2N2O3S2/c1-10-9-28-17(23-10)15-13-6-7-20(21,22)8-14(13)29-18(15)24-16(25)11-4-2-3-5-12(11)19(26)27/h9H,2-8H2,1H3,(H,24,25)(H,26,27)
Definition date:2023-05-08
Last modified:2023-06-09
Release date:2023-06-14
Identifier:2-{[(3M)-6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid
QJX
QJX
Name:(3M)-N,N-diethyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine
Formula:C20 H25 N7
SMILES:CCN(CC)c1nc2CCCCCc2c(c1c1nnn[NH]1)c1ccncc1
InChi:InChI=1S/C20H25N7/c1-3-27(4-2)20-18(19-23-25-26-24-19)17(14-10-12-21-13-11-14)15-8-6-5-7-9-16(15)22-20/h10-13H,3-9H2,1-2H3,(H,23,24,25,26)
Definition date:2023-05-08
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3M)-N,N-diethyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine
QLL
QLL
Name:2-({[4-(benzyloxy)-1H-indazol-3-yl]methyl}sulfanyl)-5-(methylsulfanyl)pyrimidin-4-ol
Formula:C20 H18 N4 O2 S2
SMILES:Oc1nc(ncc1SC)SCc1n[NH]c2cccc(OCc3ccccc3)c21
InChi:InChI=1S/C20H18N4O2S2/c1-27-17-10-21-20(22-19(17)25)28-12-15-18-14(23-24-15)8-5-9-16(18)26-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,23,24)(H,21,22,25)
Definition date:2023-05-08
Last modified:2023-06-09
Release date:2023-06-14
Identifier:2-({[4-(benzyloxy)-1H-indazol-3-yl]methyl}sulfanyl)-5-(methylsulfanyl)pyrimidin-4-ol
QN6
QN6
Name:(3M)-4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
Formula:C21 H25 N5
SMILES:CC(C)Cc1c(c(nc2CCCCCc21)c1ccccc1)c1nnn[NH]1
InChi:InChI=1S/C21H25N5/c1-14(2)13-17-16-11-7-4-8-12-18(16)22-20(15-9-5-3-6-10-15)19(17)21-23-25-26-24-21/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H,23,24,25,26)
Definition date:2023-05-08
Last modified:2023-06-09
Release date:2023-06-14
Identifier:(3M)-4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
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

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PDB entries from 2024-07-10

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