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KCV

KCV
Name:	5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Formula:	C12 H12 Cl N3 O S
SMILES:	Sc1nnc(COc2ccc(Cl)cc2)n1CC=C
InChi:	InChI=1S/C12H12ClN3OS/c1-2-7-16-11(14-15-12(16)18)8-17-10-5-3-9(13)4-6-10/h2-6H,1,7-8H2,(H,15,18)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

LM9

LM9
Name:	(5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole
Formula:	C13 H8 Cl2 N4 O
SMILES:	Clc1ccc(Oc2ccccc2c2n[NH]nn2)c(Cl)c1
InChi:	InChI=1S/C13H8Cl2N4O/c14-8-5-6-12(10(15)7-8)20-11-4-2-1-3-9(11)13-16-18-19-17-13/h1-7H,(H,16,17,18,19)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole

LQX

LQX
Name:	1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide
Formula:	C23 H26 N6 O4 S2
SMILES:	Cn1nc(C)cc1CN2C(=O)N(Cc3sc(C)nc3)C(=O)c4cc(ccc24)[S](=O)(=O)NC5(C)CC5
InChi:	InChI=1S/C23H26N6O4S2/c1-14-9-16(27(4)25-14)12-28-20-6-5-18(35(32,33)26-23(3)7-8-23)10-19(20)21(30)29(22(28)31)13-17-11-24-15(2)34-17/h5-6,9-11,26H,7-8,12-13H2,1-4H3
Definition date:	2022-07-11
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	1-[(2,5-dimethylpyrazol-3-yl)methyl]-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide

LWL

LWL
Name:	N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
Formula:	C11 H17 N4 O
SMILES:	C[N+](C)(C)CC(=O)NN=Cc1ccccn1
InChi:	InChI=1S/C11H16N4O/c1-15(2,3)9-11(16)14-13-8-10-6-4-5-7-12-10/h4-8H,9H2,1-3H3/p+1
Synonyms:	~{N}-[(~{E})-pyridin-2-ylmethylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide
Definition date:	2022-07-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	trimethyl-[2-oxidanylidene-2-[(2~{E})-2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]azanium

LWU

LWU
Name:	1-(2-(2-((6-(dihydroxymethyl)-2-phenylpyrimidin-4-yl)methylene)hydrazineyl)-2-oxoethyl)pyridin-1-ium
Formula:	C19 H20 N5 O3
SMILES:	OC(O)c1cc(CNNC(=O)C[n+]2ccccc2)nc(n1)c3ccccc3
InChi:	InChI=1S/C19H19N5O3/c25-17(13-24-9-5-2-6-10-24)23-20-12-15-11-16(19(26)27)22-18(21-15)14-7-3-1-4-8-14/h1-11,19-20,26-27H,12-13H2/p+1
Synonyms:	~{N}'-[[6-[bis(oxidanyl)methyl]-2-phenyl-pyrimidin-4-yl]methyl]-2-pyridin-1-yl-ethanehydrazide
Definition date:	2022-07-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	~{N}'-[[6-[bis(oxidanyl)methyl]-2-phenyl-pyrimidin-4-yl]methyl]-2-pyridin-1-ium-1-yl-ethanehydrazide

M69

M69
Name:	(2seqTrans,5S)-5-(4-chlorophenyl)-2-(hydroxymethylidene)cyclohexane-1,3-dione
Formula:	C13 H11 Cl O3
SMILES:	Clc1ccc(cc1)C1CC(=O)/C(=CO)C(=O)C1
InChi:	InChI=1S/C13H11ClO3/c14-10-3-1-8(2-4-10)9-5-12(16)11(7-15)13(17)6-9/h1-4,7,9,15H,5-6H2/b11-7-/t9-/m0/s1
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2seqTrans,5S)-5-(4-chlorophenyl)-2-(hydroxymethylidene)cyclohexane-1,3-dione

M8I

M8I
Name:	3-[1-(4-carbamoylphenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid
Formula:	C20 H17 F N2 O3
SMILES:	NC(=O)c1ccc(cc1)n1c(ccc1CCC(=O)O)c1ccc(F)cc1
InChi:	InChI=1S/C20H17FN2O3/c21-15-5-1-13(2-6-15)18-11-9-17(10-12-19(24)25)23(18)16-7-3-14(4-8-16)20(22)26/h1-9,11H,10,12H2,(H2,22,26)(H,24,25)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	3-[1-(4-carbamoylphenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid

MF9

MF9
Name:	(3S)-3-[(4-chlorophenyl)sulfanyl]butanoic acid
Formula:	C10 H11 Cl O2 S
SMILES:	Clc1ccc(SC(C)CC(=O)O)cc1
InChi:	InChI=1S/C10H11ClO2S/c1-7(6-10(12)13)14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3S)-3-[(4-chlorophenyl)sulfanyl]butanoic acid

MQF

MQF
Name:	5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
Formula:	C15 H15 F6 N O3
SMILES:	FC(F)(F)c1nc(OCC(F)(F)F)c(cc1C(=O)O)C1CCCCC1
InChi:	InChI=1S/C15H15F6NO3/c16-14(17,18)7-25-12-9(8-4-2-1-3-5-8)6-10(13(23)24)11(22-12)15(19,20)21/h6,8H,1-5,7H2,(H,23,24)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid

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

NC0

NC0
Name:	2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid
Formula:	C16 H14 N2 O3
SMILES:	O=C(O)c1ccccc1NC(=O)N1CCc2ccccc21
InChi:	InChI=1S/C16H14N2O3/c19-15(20)12-6-2-3-7-13(12)17-16(21)18-10-9-11-5-1-4-8-14(11)18/h1-8H,9-10H2,(H,17,21)(H,19,20)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid

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

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

64X

64X
Name:	5-bromo-L-tryptophan
Formula:	C11 H11 Br N2 O2
SMILES:	N[CH](Cc1c[nH]c2ccc(Br)cc12)C(O)=O
InChi:	InChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
Definition date:	2023-01-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2~{S})-2-azanyl-3-(5-bromanyl-1~{H}-indol-3-yl)propanoic acid

PV6

PV6
Name:	2-sulfanylbenzamide
Formula:	C7 H7 N O S
SMILES:	O=C(N)c1ccccc1S
InChi:	InChI=1S/C7H7NOS/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H2,8,9)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-sulfanylbenzamide

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

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