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S2H

S2H
Name:	Hydrogen disulfide
Formula:	H2 S2
SMILES:	SS
InChi:	InChI=1S/H2S2/c1-2/h1-2H
Definition date:	2011-08-05
Last modified:	2012-05-11

0KL

0KL
Name:	5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)
Formula:	C14 H22 N3 O14 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(C#CCCCN)=C1)CC2O
InChi:	InChI=1S/C14H22N3O14P3/c15-5-3-1-2-4-9-7-17(14(20)16-13(9)19)12-6-10(18)11(29-12)8-28-33(24,25)31-34(26,27)30-32(21,22)23/h7,10-12,18H,1,3,5-6,8,15H2,(H,24,25)(H,26,27)(H,16,19,20)(H2,21,22,23)/t10-,11+,12+/m0/s1
Definition date:	2012-02-03
Last modified:	2012-05-11
Identifier:	5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)

0KO

0KO
Name:	4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
Formula:	C21 H27 N9 O3 S
SMILES:	O=S(=O)(N4CCN(Cc2cc(c1nc(nc(n1)N)C)c(nc2)Nc3ccc(OC)nc3)CC4)C
InChi:	InChI=1S/C21H27N9O3S/c1-14-25-20(28-21(22)26-14)17-10-15(13-29-6-8-30(9-7-29)34(3,31)32)11-24-19(17)27-16-4-5-18(33-2)23-12-16/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,27)(H2,22,25,26,28)
Definition date:	2012-02-06
Last modified:	2012-05-11
Identifier:	4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine

0L3

0L3
Name:	7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:	C26 H42 N5 O14 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cc(C#CCCCNC(=O)CCCCCCCCCO)c1c(ncnc12)N)CC3O
InChi:	InChI=1S/C26H42N5O14P3/c27-25-24-19(11-7-6-9-13-28-22(34)12-8-4-2-1-3-5-10-14-32)16-31(26(24)30-18-29-25)23-15-20(33)21(43-23)17-42-47(38,39)45-48(40,41)44-46(35,36)37/h16,18,20-21,23,32-33H,1-6,8-10,12-15,17H2,(H,28,34)(H,38,39)(H,40,41)(H2,27,29,30)(H2,35,36,37)/t20-,21+,23+/m0/s1
Definition date:	2012-02-08
Last modified:	2012-05-11
Identifier:	7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine

0L4

0L4
Name:	5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:	C16 H24 N5 O12 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cc(C#CCCCN)c1c(ncnc12)N)CC3O
InChi:	InChI=1S/C16H24N5O12P3/c17-5-3-1-2-4-10-7-21(16-14(10)15(18)19-9-20-16)13-6-11(22)12(31-13)8-30-35(26,27)33-36(28,29)32-34(23,24)25/h7,9,11-13,22H,1,3,5-6,8,17H2,(H,26,27)(H,28,29)(H2,18,19,20)(H2,23,24,25)/t11-,12+,13+/m0/s1
Definition date:	2012-02-08
Last modified:	2012-05-11
Identifier:	5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine

0L5

0L5
Name:	2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate)
Formula:	C24 H40 N3 O16 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(C#CCCCNC(=O)CCCCCCCCCO)=C1)CC2O
InChi:	InChI=1S/C24H40N3O16P3/c28-14-10-5-3-1-2-4-8-12-21(30)25-13-9-6-7-11-18-16-27(24(32)26-23(18)31)22-15-19(29)20(41-22)17-40-45(36,37)43-46(38,39)42-44(33,34)35/h16,19-20,22,28-29H,1-6,8-10,12-15,17H2,(H,25,30)(H,36,37)(H,38,39)(H,26,31,32)(H2,33,34,35)/t19-,20+,22+/m0/s1
Definition date:	2012-02-08
Last modified:	2012-05-11
Identifier:	2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate)

0L6

0L6
Name:	5-(5-aminopent-1-yn-1-yl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)
Formula:	C14 H25 N4 O13 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=C(C#CCCCN)C1)N)CC2O
InChi:	InChI=1S/C14H25N4O13P3/c15-5-3-1-2-4-9-7-18(14(20)17-13(9)16)12-6-10(19)11(29-12)8-28-33(24,25)31-34(26,27)30-32(21,22)23/h10-12,19H,1,3,5-8,15-16H2,(H,17,20)(H,24,25)(H,26,27)(H2,21,22,23)/t10-,11+,12+/m0/s1
Definition date:	2012-02-08
Last modified:	2012-05-11
Identifier:	5-(5-aminopent-1-yn-1-yl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)

0L7

0L7
Name:	2-amino-5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Formula:	C16 H24 N5 O13 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2c1N=C(N)NC(=O)c1c(C#CCCCN)c2)CC3O
InChi:	InChI=1S/C16H24N5O13P3/c17-5-3-1-2-4-9-7-21(14-13(9)15(23)20-16(18)19-14)12-6-10(22)11(32-12)8-31-36(27,28)34-37(29,30)33-35(24,25)26/h7,10-12,22H,1,3,5-6,8,17H2,(H,27,28)(H,29,30)(H2,24,25,26)(H3,18,19,20,23)/t10-,11+,12+/m0/s1
Definition date:	2012-02-08
Last modified:	2012-05-11
Identifier:	2-amino-5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

0MC

0MC
Name:	{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Formula:	C35 H45 N O10
SMILES:	O=C(C(=O)C1(O)CCCCC1CC)N4C(C(=O)OC(c2cccc(OCC(=O)O)c2)CCc3ccc(OC)c(OC)c3)CCCC4
InChi:	InChI=1S/C35H45NO10/c1-4-25-11-5-7-18-35(25,42)32(39)33(40)36-19-8-6-13-27(36)34(41)46-28(24-10-9-12-26(21-24)45-22-31(37)38)16-14-23-15-17-29(43-2)30(20-23)44-3/h9-10,12,15,17,20-21,25,27-28,42H,4-8,11,13-14,16,18-19,22H2,1-3H3,(H,37,38)/t25-,27+,28-,35+/m1/s1
Definition date:	2012-02-28
Last modified:	2012-05-11
Identifier:	{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid

0MD

0MD
Name:	{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Formula:	C35 H45 N O10
SMILES:	O=C(C(=O)C1(O)CCCCC1CC)N4C(C(=O)OC(c2cccc(OCC(=O)O)c2)CCc3ccc(OC)c(OC)c3)CCCC4
InChi:	InChI=1S/C35H45NO10/c1-4-25-11-5-7-18-35(25,42)32(39)33(40)36-19-8-6-13-27(36)34(41)46-28(24-10-9-12-26(21-24)45-22-31(37)38)16-14-23-15-17-29(43-2)30(20-23)44-3/h9-10,12,15,17,20-21,25,27-28,42H,4-8,11,13-14,16,18-19,22H2,1-3H3,(H,37,38)/t25-,27-,28+,35+/m0/s1
Definition date:	2012-03-27
Last modified:	2012-05-11
Identifier:	{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid

0O5

0O5
Name:	4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Formula:	C23 H25 N3 O2
SMILES:	O=C(NCCN1CCOCC1)c4ccc(c3nc(cc2c3cccc2)C)cc4
InChi:	InChI=1S/C23H25N3O2/c1-17-16-20-4-2-3-5-21(20)22(25-17)18-6-8-19(9-7-18)23(27)24-10-11-26-12-14-28-15-13-26/h2-9,16H,10-15H2,1H3,(H,24,27)
Definition date:	2012-03-29
Last modified:	2012-05-11
Identifier:	4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide

0QK

0QK
Name:	7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:	C28 H41 N7 O4
SMILES:	O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C(C)C)CC4OC(n3ccc2c(ncnc23)N)C(O)C4O
InChi:	InChI=1S/C28H41N7O4/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18(8-10-19)28(3,4)5)15-21-22(36)23(37)26(39-21)35-14-11-20-24(29)31-16-32-25(20)35/h7-11,14,16-17,21-23,26,36-37H,6,12-13,15H2,1-5H3,(H2,29,31,32)(H2,30,33,38)/t21-,22-,23-,26-/m1/s1
Definition date:	2012-04-12
Last modified:	2012-05-11
Identifier:	7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine

7PQ

7PQ
Name:	4-[2-(aminomethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide
Formula:	C24 H27 N3 O2
SMILES:	O=C(NCCN1CCOCC1)c4ccc(c3c2ccccc2ccc3CN)cc4
InChi:	InChI=1S/C24H27N3O2/c25-17-21-10-5-18-3-1-2-4-22(18)23(21)19-6-8-20(9-7-19)24(28)26-11-12-27-13-15-29-16-14-27/h1-10H,11-17,25H2,(H,26,28)
Definition date:	2012-03-29
Last modified:	2012-05-11
Identifier:	4-[2-(aminomethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide

6SE

6SE
Name:	triselane
Formula:	H2 Se3
SMILES:	[SeH][Se][SeH]
InChi:	InChI=1S/H2Se3/c1-3-2/h1-2H
Definition date:	2011-08-05
Last modified:	2012-05-11
Identifier:	triselane

2P2

2P2
Name:	1-[(2R,5S)-2-tert-butyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
Formula:	C25 H38 N2 O4
SMILES:	O=C(N2C(C(=O)N1C(C(O)CO)CCC1)CCC2C(C)(C)C)CCCc3ccccc3
InChi:	InChI=1S/C25H38N2O4/c1-25(2,3)22-15-14-20(24(31)26-16-8-12-19(26)21(29)17-28)27(22)23(30)13-7-11-18-9-5-4-6-10-18/h4-6,9-10,19-22,28-29H,7-8,11-17H2,1-3H3/t19-,20-,21-,22+/m0/s1
Definition date:	2012-03-15
Last modified:	2012-05-11
Identifier:	(1R)-1-{(2S)-1-[(5R)-5-tert-butyl-1-(4-phenylbutanoyl)-L-prolyl]pyrrolidin-2-yl}ethane-1,2-diol

2P4

2P4
Name:	(5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide
Formula:	C20 H26 N2 O4
SMILES:	O=C(N1C(C(O)CO)CCC1)C3C(C(=O)NCc2ccccc2)=CCC3
InChi:	InChI=1S/C20H26N2O4/c23-13-18(24)17-10-5-11-22(17)20(26)16-9-4-8-15(16)19(25)21-12-14-6-2-1-3-7-14/h1-3,6-8,16-18,23-24H,4-5,9-13H2,(H,21,25)/t16-,17+,18+/m1/s1
Definition date:	2012-03-15
Last modified:	2012-05-11
Identifier:	(5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide

2P6

2P6
Name:	(2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile
Formula:	C20 H25 N3 O2
SMILES:	O=C(N1C(C#N)CCC1)C3N(C(=O)CCCc2ccccc2)CCC3
InChi:	InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
Definition date:	2012-03-15
Last modified:	2012-05-11
Identifier:	(2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile

2P8

2P8
Name:	(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
Formula:	C19 H27 N3 O4
SMILES:	O=C(N1C(C(O)CO)CCC1)C3N(C(=O)NCc2ccccc2)CCC3
InChi:	InChI=1S/C19H27N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-17,23-24H,4-5,8-13H2,(H,20,26)/t15-,16-,17-/m0/s1
Definition date:	2012-03-15
Last modified:	2012-05-11
Identifier:	(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide

I63

I63
Name:	{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Formula:	C32 H41 N O9
SMILES:	O=C(C(=O)C(C)(C)CC)N3C(C(=O)OC(c1cccc(OCC(=O)O)c1)CCc2ccc(OC)c(OC)c2)CCCC3
InChi:	InChI=1S/C32H41NO9/c1-6-32(2,3)29(36)30(37)33-17-8-7-12-24(33)31(38)42-25(22-10-9-11-23(19-22)41-20-28(34)35)15-13-21-14-16-26(39-4)27(18-21)40-5/h9-11,14,16,18-19,24-25H,6-8,12-13,15,17,20H2,1-5H3,(H,34,35)/t24-,25+/m0/s1
Definition date:	2012-02-28
Last modified:	2012-05-11
Identifier:	{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid

DC4

DC4
Name:	2-CHLORODIBENZOFURAN
Formula:	C12 H7 Cl O
SMILES:	Clc2cc1c3ccccc3oc1cc2
InChi:	InChI=1S/C12H7ClO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
Definition date:	2011-04-06
Last modified:	2012-05-11
Identifier:	2-chlorodibenzo[b,d]furan

THL

THL
Name:	N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID
Formula:	C19 H23 N7 O6
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC2=C(NC(=NC2=O)N)NC3)CCC(=O)O
InChi:	InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1
Synonyms:	TETRAHYDROFOLIC ACID
Definition date:	2004-08-24
Last modified:	2012-05-10
Identifier:	N-{[4-({[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid

RVA

RVA
Name:	3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid
Formula:	C16 H12 O6
SMILES:	O=C(O)c2cccc(O/C(C(=O)O)=Cc1ccccc1)c2O
InChi:	InChI=1S/C16H12O6/c17-14-11(15(18)19)7-4-8-12(14)22-13(16(20)21)9-10-5-2-1-3-6-10/h1-9,17H,(H,18,19)(H,20,21)/b13-9-
Definition date:	2011-05-12
Last modified:	2012-05-10
Identifier:	3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid

RVC

RVC
Name:	3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid
Formula:	C13 H12 O6
SMILES:	O=C(O)c2c(O)c(OC(=C/C1CC1)C(=O)O)ccc2
InChi:	InChI=1S/C13H12O6/c14-11-8(12(15)16)2-1-3-9(11)19-10(13(17)18)6-7-4-5-7/h1-3,6-7,14H,4-5H2,(H,15,16)(H,17,18)/b10-6-
Definition date:	2011-05-12
Last modified:	2012-05-10
Identifier:	3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid

VAE

VAE
Name:	3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid
Formula:	C16 H12 O6
SMILES:	O=C(O)c2cccc(O/C(C(=O)O)=C/c1ccccc1)c2O
InChi:	InChI=1S/C16H12O6/c17-14-11(15(18)19)7-4-8-12(14)22-13(16(20)21)9-10-5-2-1-3-6-10/h1-9,17H,(H,18,19)(H,20,21)/b13-9+
Definition date:	2011-05-23
Last modified:	2012-05-10
Identifier:	3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid

VCE

VCE
Name:	3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid
Formula:	C13 H12 O6
SMILES:	O=C(O)c2c(O)c(OC(=CC1CC1)C(=O)O)ccc2
InChi:	InChI=1S/C13H12O6/c14-11-8(12(15)16)2-1-3-9(11)19-10(13(17)18)6-7-4-5-7/h1-3,6-7,14H,4-5H2,(H,15,16)(H,17,18)/b10-6+
Definition date:	2011-05-23
Last modified:	2012-05-10
Identifier:	3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid

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