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644

644
Name:	2,6-bis[(2-carboxyphenyl)amino]benzoic acid
Formula:	C21 H16 N2 O6
SMILES:	O=C(O)c1ccccc1Nc3cccc(Nc2c(C(=O)O)cccc2)c3C(=O)O
InChi:	InChI=1S/C21H16N2O6/c24-19(25)12-6-1-3-8-14(12)22-16-10-5-11-17(18(16)21(28)29)23-15-9-4-2-7-13(15)20(26)27/h1-11,22-23H,(H,24,25)(H,26,27)(H,28,29)
Definition date:	2013-08-12
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	2,6-bis[(2-carboxyphenyl)amino]benzoic acid

6OD

6OD
Name:	(2E,4E)-2-amino-6-oxohexa-2,4-dienoic acid
Formula:	C6 H7 N O3
SMILES:	O=C(O)C(=CC=CC=O)/N
InChi:	InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1+,5-3+
Definition date:	2012-12-06
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	(2E,4E)-2-amino-6-oxohexa-2,4-dienoic acid

6OH

6OH
Name:	(2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid
Formula:	C6 H6 O4
SMILES:	O=C(O)C(/O)=CC=CC=O
InChi:	InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1+,5-3+
Definition date:	2012-12-06
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	(2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid

CG4

CG4
Name:	4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid
Formula:	C28 H23 N5 O5
SMILES:	O=C(O)c1ccc(cc1)NC(=O)c5cccc(c2nc(c3nccn3c2)Nc4ccc(OC)c(OC)c4)c5
InChi:	InChI=1S/C28H23N5O5/c1-37-23-11-10-21(15-24(23)38-2)30-25-26-29-12-13-33(26)16-22(32-25)18-4-3-5-19(14-18)27(34)31-20-8-6-17(7-9-20)28(35)36/h3-16H,1-2H3,(H,30,32)(H,31,34)(H,35,36)
Definition date:	2014-03-19
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid

CIG

CIG
Name:	2-AMINO-6-CHLOROPYRAZINE
Formula:	C4 H4 Cl N3
SMILES:	Clc1nc(N)cnc1
InChi:	InChI=1S/C4H4ClN3/c5-3-1-7-2-4(6)8-3/h1-2H,(H2,6,8)
Definition date:	2004-11-12
Last modified:	2014-05-16
Identifier:	6-chloropyrazin-2-amine

RUI

RUI
Name:	Cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~C~10~,N~1~)ruthenium
Formula:	C18 H7 N2 O2 Ru
SMILES:	[Ru]\|1\|2\|3\|45(\|[C-]#[O+])(\|C6C\|1=C\|2C\|3=C\|46)\|n7cccc8ccc9c(=O)[nH]cc5c9c78
InChi:	InChI=1S/C12H7N2O.C5H.CO.Ru/c15-12-10-4-3-8-2-1-6-13-11(8)9(10)5-7-14-12
Definition date:	2013-07-23
Last modified:	2014-05-16
Release date:	2014-05-21

RXO

RXO
Name:	4-arsanyl-2-nitrophenol
Formula:	C6 H6 As N O3
SMILES:	O=[N+]([O-])c1cc(ccc1O)[AsH2]
InChi:	InChI=1S/C6H6AsNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2
Definition date:	2014-02-04
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	4-arsanyl-2-nitrophenol

CH8

CH8
Name:	5-CHLORO-2-PHENOXYPHENOL
Formula:	C12 H9 Cl O2
SMILES:	Clc2cc(O)c(Oc1ccccc1)cc2
InChi:	InChI=1S/C12H9ClO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H
Definition date:	2012-03-04
Last modified:	2014-05-14
Identifier:	5-chloro-2-phenoxyphenol

I0P

I0P
Name:	D-MYO INOSITOL 1,4,5,6 TETRAKISPHOSPHATE
Formula:	C6 H16 O18 P4
SMILES:	O=P(OC1C(OP(=O)(O)O)C(O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O
InChi:	InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m1/s1
Definition date:	2011-11-01
Last modified:	2014-05-13
Identifier:	(1R,2S,3S,4R,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]

JQF

JQF
Name:	3-METHYL-N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL)BUTANAMIDE
Formula:	C19 H19 N3 O2
SMILES:	O=C(Nc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3)CC(C)C
InChi:	InChI=1S/C19H19N3O2/c1-12(2)11-17(23)20-14-9-7-13(8-10-14)18-21-16-6-4-3-5-15(16)19(24)22-18/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22,24)
Definition date:	2013-06-20
Last modified:	2014-05-12
Release date:	2013-10-30
Identifier:	3-methyl-N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]butanamide

GDP

GDP
Name:	GUANOSINE-5'-DIPHOSPHATE
Formula:	C10 H15 N5 O11 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:	InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2014-05-12
Identifier:	guanosine 5'-(trihydrogen diphosphate)

KIJ

KIJ
Name:	3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid
Formula:	C13 H9 N O7
SMILES:	[O-][N+](=O)c2cccc(Oc1cc(cc(O)c1O)C(=O)O)c2
InChi:	InChI=1S/C13H9NO7/c15-10-4-7(13(17)18)5-11(12(10)16)21-9-3-1-2-8(6-9)14(19)20/h1-6,15-16H,(H,17,18)
Definition date:	2013-05-09
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid

KIU

KIU
Name:	5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid
Formula:	C15 H11 N O7
SMILES:	[O-][N+](=O)c1cccc(c1)COc2cc(cc(c2)C(=O)O)C(=O)O
InChi:	InChI=1S/C15H11NO7/c17-14(18)10-5-11(15(19)20)7-13(6-10)23-8-9-2-1-3-12(4-9)16(21)22/h1-7H,8H2,(H,17,18)(H,19,20)
Definition date:	2013-05-09
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid

KIW

KIW
Name:	5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid
Formula:	C15 H12 N2 O6
SMILES:	[O-][N+](=O)c1cccc(c1)CNc2cc(cc(c2)C(=O)O)C(=O)O
InChi:	InChI=1S/C15H12N2O6/c18-14(19)10-5-11(15(20)21)7-12(6-10)16-8-9-2-1-3-13(4-9)17(22)23/h1-7,16H,8H2,(H,18,19)(H,20,21)
Definition date:	2013-05-09
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid

Z13

Z13
Name:	(E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
Formula:	C16 H11 F6 N
SMILES:	FC(F)(F)c2ccc(/C=N/Cc1ccc(cc1)C(F)(F)F)cc2
InChi:	InChI=1S/C16H11F6N/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-9H,10H2
Definition date:	2014-01-09
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	(E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine

L2E

L2E
Name:	(2S)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one
Formula:	C25 H28 O6
SMILES:	O=C2c3c(O)c(c(O)cc3OC(c1ccc(O)c(O)c1)C2)CC=C(/C)CCC=C(/C)C
InChi:	InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1
Definition date:	2013-06-13
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	(2S)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one

K08

K08
Name:	5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole
Formula:	C23 H24 N4
SMILES:	n1nnnc1CCC3=C(C(=Cc2ccc(cc2)C(C)C)c4ccccc34)C
InChi:	InChI=1S/C23H24N4/c1-15(2)18-10-8-17(9-11-18)14-22-16(3)19(12-13-23-24-26-27-25-23)20-6-4-5-7-21(20)22/h4-11,14-15H,12-13H2,1-3H3,(H,24,25,26,27)/b22-14-
Definition date:	2013-11-06
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole

K09

K09
Name:	5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole
Formula:	C23 H23 F N4
SMILES:	Fc4ccc2c(C(=C(C2=Cc1ccc(cc1)C(C)C)C)CCc3nnnn3)c4
InChi:	InChI=1S/C23H23FN4/c1-14(2)17-6-4-16(5-7-17)12-21-15(3)19(10-11-23-25-27-28-26-23)22-13-18(24)8-9-20(21)22/h4-9,12-14H,10-11H2,1-3H3,(H,25,26,27,28)/b21-12-
Definition date:	2013-10-17
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole

2V1

2V1
Name:	4-(methylsulfonyl)-N-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide
Formula:	C31 H28 N6 O5 S
SMILES:	O=C(c5ccc(Nc4nc(c2cccc(NC(=O)c1ccc(cc1)S(=O)(=O)C)c2)cn3ccnc34)cc5)N6CCOCC6
InChi:	InChI=1S/C31H28N6O5S/c1-43(40,41)26-11-7-21(8-12-26)30(38)34-25-4-2-3-23(19-25)27-20-37-14-13-32-29(37)28(35-27)33-24-9-5-22(6-10-24)31(39)36-15-17-42-18-16-36/h2-14,19-20H,15-18H2,1H3,(H,33,35)(H,34,38)
Definition date:	2014-02-19
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	4-(methylsulfonyl)-N-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide

2V2

2V2
Name:	1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea
Formula:	C27 H29 N5 O3
SMILES:	O=C1C(NC(=O)NC)=CC(=CN1C)c4cccc(N3C=Nc2cc(ccc2C3=O)C(C)(C)C)c4C
InChi:	InChI=1S/C27H29N5O3/c1-16-19(17-12-22(30-26(35)28-5)25(34)31(6)14-17)8-7-9-23(16)32-15-29-21-13-18(27(2,3)4)10-11-20(21)24(32)33/h7-15H,1-6H3,(H2,28,30,35)
Definition date:	2014-02-19
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea

2V3

2V3
Name:	6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one
Formula:	C36 H37 F N6 O3
SMILES:	Fc2cc(cc1C=CN(C(=O)c12)c3cccc(c3CO)C=4C=C(C(=O)N(C=4)C)Nc6ncc(N5CCN(CC)CC5)cc6)C7CC7
InChi:	InChI=1S/C36H37FN6O3/c1-3-41-13-15-42(16-14-41)27-9-10-33(38-20-27)39-31-19-26(21-40(2)35(31)45)28-5-4-6-32(29(28)22-44)43-12-11-24-17-25(23-7-8-23)18-30(37)34(24)36(43)46/h4-6,9-12,17-21,23,44H,3,7-8,13-16,22H2,1-2H3,(H,38,39)
Definition date:	2014-02-19
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one

2WA

2WA
Name:	(1S,8E)-1-{[(2S)-1-hydroxy-3-{[(1S)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol
Formula:	C35 H70 O5
SMILES:	OC(OC(COC(O)CCCCCCCCCCCCCC)CO)CCCCCC/C=C/CCCCCCCC
InChi:	InChI=1S/C35H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,33-38H,3-16,19-32H2,1-2H3/b18-17+/t33-,34-,35-/m0/s1
Definition date:	2014-01-29
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	(1S,8E)-1-{[(2S)-1-hydroxy-3-{[(1S)-1-hydroxypentadecyl]oxy}propan-2-yl]oxy}heptadec-8-en-1-ol

2WD

2WD
Name:	(1R)-1-{[(2S)-3-hydroxy-2-{[(1R)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol
Formula:	C14 H30 O5
SMILES:	OC(OC(COC(O)CCCCC)CO)CCCC
InChi:	InChI=1S/C14H30O5/c1-3-5-7-9-13(16)18-11-12(10-15)19-14(17)8-6-4-2/h12-17H,3-11H2,1-2H3/t12-,13+,14+/m0/s1
Definition date:	2014-01-29
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	(1R)-1-{[(2S)-3-hydroxy-2-{[(1R)-1-hydroxypentyl]oxy}propyl]oxy}hexan-1-ol

2WH

2WH
Name:	1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea
Formula:	C22 H24 N6 O2 S
SMILES:	O=C(NCCc1ncn(c1)CCC)Nc2nc3ccc(cc3s2)c4cc(OC)cnc4
InChi:	InChI=1S/C22H24N6O2S/c1-3-8-28-13-17(25-14-28)6-7-24-21(29)27-22-26-19-5-4-15(10-20(19)31-22)16-9-18(30-2)12-23-11-16/h4-5,9-14H,3,6-8H2,1-2H3,(H2,24,26,27,29)
Definition date:	2014-03-11
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea

2WJ

2WJ
Name:	N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
Formula:	C14 H11 N3 O S
SMILES:	O=C(Nc1nc2ccc(cc2s1)c3cccnc3)C
InChi:	InChI=1S/C14H11N3OS/c1-9(18)16-14-17-12-5-4-10(7-13(12)19-14)11-3-2-6-15-8-11/h2-8H,1H3,(H,16,17,18)
Definition date:	2014-03-11
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide

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