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IQH

IQH
Name:	2-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid
Formula:	C12 H10 Cl N O2 S
SMILES:	O=C(O)c1csc(CCc2cc(Cl)ccc2)n1
InChi:	InChI=1S/C12H10ClNO2S/c13-9-3-1-2-8(6-9)4-5-11-14-10(7-17-11)12(15)16/h1-3,6-7H,4-5H2,(H,15,16)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid

IUT

IUT
Name:	(1s,4s)-4-(1-methyl-2-phenyl-1H-indol-3-yl)cyclohexane-1-carboxylic acid
Formula:	C22 H23 N O2
SMILES:	O=C(O)C1CCC(CC1)c1c2ccccc2n(C)c1c1ccccc1
InChi:	InChI=1S/C22H23NO2/c1-23-19-10-6-5-9-18(19)20(21(23)16-7-3-2-4-8-16)15-11-13-17(14-12-15)22(24)25/h2-10,15,17H,11-14H2,1H3,(H,24,25)/t15-,17+
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1s,4s)-4-(1-methyl-2-phenyl-1H-indol-3-yl)cyclohexane-1-carboxylic acid

WJH

WJH
Name:	4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid
Formula:	C20 H21 N3 O5 S
SMILES:	O=C(O)C=1COCCC=1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1
InChi:	InChI=1S/C20H21N3O5S/c24-17(11-7-8-27-9-13(11)20(25)26)22-19-15(12-3-1-2-4-14(12)29-19)18-21-16(23-28-18)10-5-6-10/h10H,1-9H2,(H,22,24)(H,25,26)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid

WJQ

WJQ
Name:	(5s,8s)-8-(3-bromophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione
Formula:	C12 H10 Br N O4 S
SMILES:	Brc1cccc(c1)C1OCC2(CO1)SC(=O)NC2=O
InChi:	InChI=1S/C12H10BrNO4S/c13-8-3-1-2-7(4-8)9-17-5-12(6-18-9)10(15)14-11(16)19-12/h1-4,9H,5-6H2,(H,14,15,16)/t9-,12+
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5s,8s)-8-(3-bromophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione

WJU

WJU
Name:	(5M)-5-[6-chloro-4-phenyl-2-(piperidin-1-yl)quinolin-3-yl]-1,3,4-oxadiazol-2(3H)-one
Formula:	C22 H19 Cl N4 O2
SMILES:	O=C1NN=C(O1)c1c(nc2ccc(Cl)cc2c1c1ccccc1)N1CCCCC1
InChi:	InChI=1S/C22H19ClN4O2/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(28)29-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,28)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5M)-5-[6-chloro-4-phenyl-2-(piperidin-1-yl)quinolin-3-yl]-1,3,4-oxadiazol-2(3H)-one

WK0

WK0
Name:	(4S,5S)-7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid
Formula:	C18 H18 Br N O2
SMILES:	O=C(O)C1CCN(C)c2ccc(Br)cc2C1c1ccccc1
InChi:	InChI=1S/C18H18BrNO2/c1-20-10-9-14(18(21)22)17(12-5-3-2-4-6-12)15-11-13(19)7-8-16(15)20/h2-8,11,14,17H,9-10H2,1H3,(H,21,22)/t14-,17+/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(4S,5S)-7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid

WK9

WK9
Name:	(1R,2S)-2-{[(2M)-4'-(methoxycarbonyl)-4,5-dihydro-2'H,3H-[2,3'-bi-1lambda~4~-thiophen]-5'-yl]carbamoyl}cyclohexane-1-carboxylic acid
Formula:	C18 H25 N O5 S2
SMILES:	O=C(O)C1CCCCC1C(=O)NC1=SCC(C2=SCCC2)=C1C(=O)OC
InChi:	InChI=1S/C18H25NO5S2/c1-24-18(23)14-12(13-7-4-8-25-13)9-26-16(14)19-15(20)10-5-2-3-6-11(10)17(21)22/h10-11,25-26H,2-9H2,1H3,(H,19,20)(H,21,22)/t10-,11+/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1R,2S)-2-{[(2M)-4'-(methoxycarbonyl)-4,5-dihydro-2'H,3H-[2,3'-bi-1lambda~4~-thiophen]-5'-yl]carbamoyl}cyclohexane-1-carboxylic acid

WKI

WKI
Name:	[(1M)-4'-chloro-2'-phenoxy[1,1'-biphenyl]-3-yl]acetic acid
Formula:	C20 H15 Cl O3
SMILES:	Clc1cc(Oc2ccccc2)c(cc1)c1cc(CC(=O)O)ccc1
InChi:	InChI=1S/C20H15ClO3/c21-16-9-10-18(15-6-4-5-14(11-15)12-20(22)23)19(13-16)24-17-7-2-1-3-8-17/h1-11,13H,12H2,(H,22,23)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	[(1M)-4'-chloro-2'-phenoxy[1,1'-biphenyl]-3-yl]acetic acid

WKN

WKN
Name:	3-[(4-methyl-3-phenoxyphenyl)methyl]-1H-pyrazol-5-ol
Formula:	C17 H16 N2 O2
SMILES:	Cc1ccc(cc1Oc1ccccc1)Cc1cc(O)[NH]n1
InChi:	InChI=1S/C17H16N2O2/c1-12-7-8-13(9-14-11-17(20)19-18-14)10-16(12)21-15-5-3-2-4-6-15/h2-8,10-11H,9H2,1H3,(H2,18,19,20)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	3-[(4-methyl-3-phenoxyphenyl)methyl]-1H-pyrazol-5-ol

WKR

WKR
Name:	4-(tert-butylsulfanyl)-6-phenyl-1,3,5-triazine-2(5H)-thione
Formula:	C13 H15 N3 S2
SMILES:	CC(C)(C)SC1=NC(=S)N=C(N1)c1ccccc1
InChi:	InChI=1S/C13H15N3S2/c1-13(2,3)18-12-15-10(14-11(17)16-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15,16,17)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-(tert-butylsulfanyl)-6-phenyl-1,3,5-triazine-2(5H)-thione

WKW

WKW
Name:	2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid
Formula:	C19 H21 N3 O4 S
SMILES:	O=C(Nc1sc(C)c(C)c1c1nc(no1)C1CC1)C=1CCCCC=1C(=O)O
InChi:	InChI=1S/C19H21N3O4S/c1-9-10(2)27-18(14(9)17-20-15(22-26-17)11-7-8-11)21-16(23)12-5-3-4-6-13(12)19(24)25/h11H,3-8H2,1-2H3,(H,21,23)(H,24,25)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid

WL0

WL0
Name:	3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid
Formula:	C11 H12 N2 O3 S4
SMILES:	S=C1SC(=NN1c1ccccc1)SCCCS(=O)(=O)O
InChi:	InChI=1S/C11H12N2O3S4/c14-20(15,16)8-4-7-18-10-12-13(11(17)19-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15,16)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid

WL6

WL6
Name:	4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
Formula:	C12 H11 Cl N2 O3
SMILES:	O=C(O)CCCc1nc(no1)c1ccc(Cl)cc1
InChi:	InChI=1S/C12H11ClN2O3/c13-9-6-4-8(5-7-9)12-14-10(18-15-12)2-1-3-11(16)17/h4-7H,1-3H2,(H,16,17)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

WLB

WLB
Name:	2,3-bis(benzyloxy)benzoic acid
Formula:	C21 H18 O4
SMILES:	O=C(O)c1cccc(OCc2ccccc2)c1OCc1ccccc1
InChi:	InChI=1S/C21H18O4/c22-21(23)18-12-7-13-19(24-14-16-8-3-1-4-9-16)20(18)25-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2,3-bis(benzyloxy)benzoic acid

WLF

WLF
Name:	1-{[4-chloro-2-(trifluoromethyl)phenyl]carbamamido}cyclopentane-1-carboxylic acid
Formula:	C14 H14 Cl F3 N2 O3
SMILES:	O=C(NC1(CCCC1)C(=O)O)Nc1ccc(Cl)cc1C(F)(F)F
InChi:	InChI=1S/C14H14ClF3N2O3/c15-8-3-4-10(9(7-8)14(16,17)18)19-12(23)20-13(11(21)22)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,21,22)(H2,19,20,23)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	1-{[4-chloro-2-(trifluoromethyl)phenyl]carbamamido}cyclopentane-1-carboxylic acid

WLN

WLN
Name:	5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-(morpholin-4-yl)pyrimidin-2(1H)-one
Formula:	C16 H18 Cl N3 O3
SMILES:	Clc1cccc(c1)CC=1C(=NC(=O)N(C)C=1O)N1CCOCC1
InChi:	InChI=1S/C16H18ClN3O3/c1-19-15(21)13(10-11-3-2-4-12(17)9-11)14(18-16(19)22)20-5-7-23-8-6-20/h2-4,9,21H,5-8,10H2,1H3
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-(morpholin-4-yl)pyrimidin-2(1H)-one

WLR

WLR
Name:	(1S,2R)-2-{[3-(trifluoromethyl)phenoxy]methyl}cyclohexane-1-carboxylic acid
Formula:	C15 H17 F3 O3
SMILES:	FC(F)(F)c1cc(OCC2CCCCC2C(=O)O)ccc1
InChi:	InChI=1S/C15H17F3O3/c16-15(17,18)11-5-3-6-12(8-11)21-9-10-4-1-2-7-13(10)14(19)20/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,19,20)/t10-,13-/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1S,2R)-2-{[3-(trifluoromethyl)phenoxy]methyl}cyclohexane-1-carboxylic acid

WLX

WLX
Name:	isoquinolin-3-amine
Formula:	C9 H8 N2
SMILES:	Nc1cc2ccccc2cn1
InChi:	InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	isoquinolin-3-amine

WM5

WM5
Name:	2-(2-methoxyanilino)benzoic acid
Formula:	C14 H13 N O3
SMILES:	COc1ccccc1Nc1ccccc1C(=O)O
InChi:	InChI=1S/C14H13NO3/c1-18-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14(16)17/h2-9,15H,1H3,(H,16,17)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-(2-methoxyanilino)benzoic acid

WMB

WMB
Name:	5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid
Formula:	C20 H21 N3 O5 S
SMILES:	O=C(O)C=1CCOCC=1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1
InChi:	InChI=1S/C20H21N3O5S/c24-17(13-9-27-8-7-11(13)20(25)26)22-19-15(12-3-1-2-4-14(12)29-19)18-21-16(23-28-18)10-5-6-10/h10H,1-9H2,(H,22,24)(H,25,26)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid

WMF

WMF
Name:	4-hydroxy-1-[(2-phenoxyphenyl)methyl]pyridin-2(1H)-one
Formula:	C18 H15 N O3
SMILES:	OC=1C=CN(Cc2ccccc2Oc2ccccc2)C(=O)C=1
InChi:	InChI=1S/C18H15NO3/c20-15-10-11-19(18(21)12-15)13-14-6-4-5-9-17(14)22-16-7-2-1-3-8-16/h1-12,20H,13H2
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-hydroxy-1-[(2-phenoxyphenyl)methyl]pyridin-2(1H)-one

WML

WML
Name:	(3S,4R)-6-bromo-3-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
Formula:	C16 H20 Br N O3
SMILES:	O=C(O)C1c2cc(Br)ccc2NC(=O)C1CCCCCC
InChi:	InChI=1S/C16H20BrNO3/c1-2-3-4-5-6-11-14(16(20)21)12-9-10(17)7-8-13(12)18-15(11)19/h7-9,11,14H,2-6H2,1H3,(H,18,19)(H,20,21)/t11-,14+/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3S,4R)-6-bromo-3-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

WMQ

WMQ
Name:	2-{[(1H-indol-7-yl)oxy]methyl}-1,3-thiazole-4-carboxylic acid
Formula:	C13 H10 N2 O3 S
SMILES:	O=C(O)c1csc(COc2cccc3cc[NH]c23)n1
InChi:	InChI=1S/C13H10N2O3S/c16-13(17)9-7-19-11(15-9)6-18-10-3-1-2-8-4-5-14-12(8)10/h1-5,7,14H,6H2,(H,16,17)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-{[(1H-indol-7-yl)oxy]methyl}-1,3-thiazole-4-carboxylic acid

WMW

WMW
Name:	(2S)-4-(4-chloro-3-fluorophenoxy)-2-(3,4-dichlorophenyl)-2-methylbutanoic acid
Formula:	C17 H14 Cl3 F O3
SMILES:	Clc1ccc(cc1Cl)C(C)(CCOc1ccc(Cl)c(F)c1)C(=O)O
InChi:	InChI=1S/C17H14Cl3FO3/c1-17(16(22)23,10-2-4-12(18)14(20)8-10)6-7-24-11-3-5-13(19)15(21)9-11/h2-5,8-9H,6-7H2,1H3,(H,22,23)/t17-/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2S)-4-(4-chloro-3-fluorophenoxy)-2-(3,4-dichlorophenyl)-2-methylbutanoic acid

WN0

WN0
Name:	5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
Formula:	C17 H21 N5
SMILES:	C(Cc1nnn[NH]1)n1c2CCCCCCc2c2ccccc12
InChi:	InChI=1S/C17H21N5/c1-2-4-9-15-13(7-3-1)14-8-5-6-10-16(14)22(15)12-11-17-18-20-21-19-17/h5-6,8,10H,1-4,7,9,11-12H2,(H,18,19,20,21)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole

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