Chemie Search results for query - Protein Data Bank Japan

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 35774 results BIRD

E9S

E9S
Name:	(2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid
Formula:	C10 H7 Br O5
SMILES:	c1ccc(c(c1C([C@H]=C(C(O)=O)O)=O)Br)O
InChi:	InChI=1S/C10H7BrO5/c11-9-5(2-1-3-6(9)12)7(13)4-8(14)10(15)16/h1-4,12,14H,(H,15,16)/b8-4-
Definition date:	2017-12-14
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid

EEK

EEK
Name:	~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide
Formula:	C9 H8 Cl2 N2 O3
SMILES:	ONC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChi:	InChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)12-8(14)4-9(15)13-16/h1-3,16H,4H2,(H,12,14)(H,13,15)
Definition date:	2018-03-15
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide

EHV

EHV
Name:	(2S)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid
Formula:	C11 H11 Br O4
SMILES:	Cc1cccc(c1C(CC(C(O)=O)O)=O)Br
InChi:	InChI=1S/C11H11BrO4/c1-6-3-2-4-7(12)10(6)8(13)5-9(14)11(15)16/h2-4,9,14H,5H2,1H3,(H,15,16)/t9-/m0/s1
Definition date:	2018-01-11
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(2S)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid

EM8

EM8
Name:	(3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid
Formula:	C20 H17 F3 N2 O4
SMILES:	C[CH](CC(O)=O)c1cccc(c1)n2c(cc3ccc(OC(F)(F)F)cc23)C(N)=O
InChi:	InChI=1S/C20H17F3N2O4/c1-11(7-18(26)27)12-3-2-4-14(8-12)25-16-10-15(29-20(21,22)23)6-5-13(16)9-17(25)19(24)28/h2-6,8-11H,7H2,1H3,(H2,24,28)(H,26,27)/t11-/m1/s1
Definition date:	2018-03-29
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid

ENG

ENG
Name:	(2Z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid
Formula:	C10 H7 Br O5
SMILES:	c1cc(O)cc(c1C([C@H]=C(C(O)=O)O)=O)Br
InChi:	InChI=1S/C10H7BrO5/c11-7-3-5(12)1-2-6(7)8(13)4-9(14)10(15)16/h1-4,12,14H,(H,15,16)/b9-4-
Definition date:	2018-01-23
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(2Z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid

EQ2

EQ2
Name:	1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid
Formula:	C14 H10 N2 O3
SMILES:	CC(=O)c1nc(cc2c1[nH]c3ccccc23)C(O)=O
InChi:	InChI=1S/C14H10N2O3/c1-7(17)12-13-9(6-11(16-12)14(18)19)8-4-2-3-5-10(8)15-13/h2-6,15H,1H3,(H,18,19)
Definition date:	2018-04-07
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid

EQA

EQA
Name:	(2Z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid
Formula:	C10 H7 F O4
SMILES:	c1cccc(c1C([C@H]=C(C(O)=O)O)=O)F
InChi:	InChI=1S/C10H7FO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-5,13H,(H,14,15)/b9-5-
Definition date:	2018-01-26
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(2Z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid

EQJ

EQJ
Name:	(E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-arginine
Formula:	C14 H22 N5 O7 P
SMILES:	Cc1ncc(COP(O)(=O)O)c(C=NC(CCCNC(N)=N)C(=O)O)c1O
InChi:	InChI=1S/C14H22N5O7P/c1-8-12(20)10(9(5-18-8)7-26-27(23,24)25)6-19-11(13(21)22)3-2-4-17-14(15)16/h5-6,11,20H,2-4,7H2,1H3,(H,21,22)(H4,15,16,17)(H2,23,24,25)/b19-6+/t11-/m0/s1
Definition date:	2018-01-28
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-arginine

EWS

EWS
Name:	(2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium
Formula:	C21 H22 Br Cl N3 O
SMILES:	C3(NC(=O)c1c2cc(ccc2nc1)Br)CC([NH2+]CC3)Cc4ccc(cc4)Cl
InChi:	InChI=1S/C21H21BrClN3O/c22-14-3-6-20-18(10-14)19(12-25-20)21(27)26-16-7-8-24-17(11-16)9-13-1-4-15(23)5-2-13/h1-6,10,12,16-17,24-25H,7-9,11H2,(H,26,27)/p+1/t16-,17+/m0/s1
Definition date:	2018-02-07
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium

F7J

F7J
Name:	3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide
Formula:	C29 H32 N4 O2
SMILES:	N(C(c1cccc(c1)C#N)=O)c5ccc2c(c(cn2C)C4CCN(C(C3CCCC3)=O)CC4)c5C
InChi:	InChI=1S/C29H32N4O2/c1-19-25(31-28(34)23-9-5-6-20(16-23)17-30)10-11-26-27(19)24(18-32(26)2)21-12-14-33(15-13-21)29(35)22-7-3-4-8-22/h5-6,9-11,16,18,21-22H,3-4,7-8,12-15H2,1-2H3,(H,31,34)
Definition date:	2018-03-08
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide

F7M

F7M
Name:	4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide
Formula:	C28 H31 N5 O2
SMILES:	c1n(c4c(c1C3CCN(C(C2CCCCC2)=O)CC3)cc(cc4)NC(=O)c5cc(ccn5)C#N)C
InChi:	InChI=1S/C28H31N5O2/c1-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-2-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34)
Definition date:	2018-03-08
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide

FK8

FK8
Name:	(phenylmethyl) carbamate
Formula:	C8 H9 N O2
SMILES:	NC(=O)OCc1ccccc1
InChi:	InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
Definition date:	2018-07-16
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(phenylmethyl) carbamate

FUS

FUS
Name:	sulfuric diamide
Formula:	H4 N2 O2 S
SMILES:	NS(=O)(=O)N
InChi:	InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
Definition date:	2018-04-18
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	sulfuric diamide

FV9

FV9
Name:	{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
Formula:	C20 H17 F N4 O7 P2 S
SMILES:	OP(O)(=O)C(P(O)(O)=O)Nc2c1c(scc1)nc(n2)c3cc(ccc3)NC(c4ccc(F)cc4)=O
InChi:	InChI=1S/C20H17FN4O7P2S/c21-13-6-4-11(5-7-13)18(26)22-14-3-1-2-12(10-14)16-23-17(15-8-9-35-19(15)24-16)25-20(33(27,28)29)34(30,31)32/h1-10,20H,(H,22,26)(H,23,24,25)(H2,27,28,29)(H2,30,31,32)
Definition date:	2018-01-16
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)

FZM

FZM
Name:	2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Formula:	C12 H12 N2
SMILES:	c1cccc(c1)c2nc3n(c2)CCC3
InChi:	InChI=1S/C12H12N2/c1-2-5-10(6-3-1)11-9-14-8-4-7-12(14)13-11/h1-3,5-6,9H,4,7-8H2
Definition date:	2018-05-01
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

G1Y

G1Y
Name:	N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide
Formula:	C20 H19 N3 O
SMILES:	O=C(NCc1cccc(c1)c3cn2c(CCC2)n3)c4ccccc4
InChi:	InChI=1S/C20H19N3O/c24-20(16-7-2-1-3-8-16)21-13-15-6-4-9-17(12-15)18-14-23-11-5-10-19(23)22-18/h1-4,6-9,12,14H,5,10-11,13H2,(H,21,24)
Definition date:	2018-05-02
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide

G2J

G2J
Name:	N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide
Formula:	C25 H27 N3 O2
SMILES:	O=C(N(CC1CC1)Cc4cccc(c3cn2CCCc2n3)c4)c5cccc(c5)OC
InChi:	InChI=1S/C25H27N3O2/c1-30-22-8-3-7-21(14-22)25(29)28(15-18-10-11-18)16-19-5-2-6-20(13-19)23-17-27-12-4-9-24(27)26-23/h2-3,5-8,13-14,17-18H,4,9-12,15-16H2,1H3
Definition date:	2018-05-02
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide

GA7

GA7
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R)-1-{(2S,3S,4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}propan-2-yl hydrogen (R)-phosphate (non-preferred name)
Formula:	C20 H32 N5 O13 P
SMILES:	O=P(O)(OC(CC1C(C(O)C(O)C(C(O)CO)O1)O)C)OCC2C(O)C(O)C(O2)n3cnc4c3ncnc4N
InChi:	InChI=1S/C20H32N5O13P/c1-7(2-9-12(28)14(30)15(31)17(36-9)8(27)3-26)38-39(33,34)35-4-10-13(29)16(32)20(37-10)25-6-24-11-18(21)22-5-23-19(11)25/h5-10,12-17,20,26-32H,2-4H2,1H3,(H,33,34)(H2,21,22,23)/t7-,8+,9+,10-,12-,13-,14-,15+,16-,17-,20-/m1/s1
Definition date:	2018-05-17
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R)-1-{(2S,3S,4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}propan-2-yl hydrogen (R)-phosphate (non-preferred name)

GJA

GJA
Name:	6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
Formula:	C25 H24 N4 O4
SMILES:	c1(nc(ccc1C(N)=O)N2CC(NC([C@H]=C)=O)CC2)Oc4ccc(Oc3ccccc3)cc4
InChi:	InChI=1S/C25H24N4O4/c1-2-23(30)27-17-14-15-29(16-17)22-13-12-21(24(26)31)25(28-22)33-20-10-8-19(9-11-20)32-18-6-4-3-5-7-18/h2-13,17H,1,14-16H2,(H2,26,31)(H,27,30)/t17-/m0/s1
Definition date:	2018-05-23
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide

GXD

GXD
Name:	4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid
Formula:	C10 H6 Cl2 O4
SMILES:	c1(cccc(Cl)c1C(CC(C(O)=O)=O)=O)Cl
InChi:	InChI=1S/C10H6Cl2O4/c11-5-2-1-3-6(12)9(5)7(13)4-8(14)10(15)16/h1-3H,4H2,(H,15,16)
Definition date:	2018-06-01
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid

GXG

GXG
Name:	4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid
Formula:	C10 H6 F2 O4
SMILES:	c1(cccc(c1C(CC(C(O)=O)=O)=O)F)F
InChi:	InChI=1S/C10H6F2O4/c11-5-2-1-3-6(12)9(5)7(13)4-8(14)10(15)16/h1-3H,4H2,(H,15,16)
Definition date:	2018-06-01
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid

GXM

GXM
Name:	(2Z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid
Formula:	C10 H7 N O6
SMILES:	c1(ccccc1C([C@H]=C(C(O)=O)O)=O)[N+]([O-])=O
InChi:	InChI=1S/C10H7NO6/c12-8(5-9(13)10(14)15)6-3-1-2-4-7(6)11(16)17/h1-5,13H,(H,14,15)/b9-5-
Definition date:	2018-06-04
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(2Z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid

GZ4

GZ4
Name:	7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium
Formula:	C21 H21 N4 O2
SMILES:	c13C(NC(=O)Nc1[n+](c2cc(C)c(cc2n3)C)CCCc4ccccc4)=O
InChi:	InChI=1S/C21H20N4O2/c1-13-11-16-17(12-14(13)2)25(10-6-9-15-7-4-3-5-8-15)19-18(22-16)20(26)24-21(27)23-19/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,24,26,27)/p+1
Definition date:	2018-06-06
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium

GZ7

GZ7
Name:	10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium
Formula:	C23 H30 N5 O4
SMILES:	c1(c2c(nc(n1)O)[n+](CCCCCCC(=O)O)c3cc(c(cc3n2)C)NC4CCCC4)O
InChi:	InChI=1S/C23H29N5O4/c1-14-12-17-18(13-16(14)24-15-8-5-6-9-15)28(11-7-3-2-4-10-19(29)30)21-20(25-17)22(31)27-23(32)26-21/h12-13,15H,2-11H2,1H3,(H3,24,26,27,29,30,31,32)/p+1
Definition date:	2018-06-06
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium

GZG

GZG
Name:	4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid
Formula:	C25 H27 N5 O4
SMILES:	C(N(Cc1ccccc1)CCCC(=O)O)CN3c4c(N=C2C(NC(=O)N=C23)=O)cc(c(c4)C)C
InChi:	InChI=1S/C25H27N5O4/c1-16-13-19-20(14-17(16)2)30(23-22(26-19)24(33)28-25(34)27-23)12-11-29(10-6-9-21(31)32)15-18-7-4-3-5-8-18/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3,(H,31,32)(H,28,33,34)
Definition date:	2018-06-06
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid

<887 888 889 890 891 892 893894895 896 897 898 899 900 901 902 >

227344

PDB entries from 2024-11-13

PDB statistics

PDBj update info

Contact PDBj

numon