Chemie Search results for query - 日本蛋白質結構資料庫

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: 35611 results BIRD

W7H

W7H
Name:	5-[2-(naphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C17 H14 N2 O4
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccccc2cc3
InChi:	InChI=1S/C17H14N2O4/c20-15-13(14(16(21)22)18-17(23)19-15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-5,7,9H,6,8H2,(H,21,22)(H2,18,19,20,23)
Definition date:	2013-03-12
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-[2-(naphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W7I

W7I
Name:	5-[2-(3-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C18 H16 N2 O5
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccccc2cc3OC
InChi:	InChI=1S/C18H16N2O5/c1-25-14-9-11-5-3-2-4-10(11)8-12(14)6-7-13-15(17(22)23)19-18(24)20-16(13)21/h2-5,8-9H,6-7H2,1H3,(H,22,23)(H2,19,20,21,24)
Definition date:	2013-03-12
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-[2-(3-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W7J

W7J
Name:	5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C18 H14 N2 O6
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc(C(=O)O)cc2cc3
InChi:	InChI=1S/C18H14N2O6/c21-15-13(14(17(24)25)19-18(26)20-15)6-2-9-1-3-11-8-12(16(22)23)5-4-10(11)7-9/h1,3-5,7-8H,2,6H2,(H,22,23)(H,24,25)(H2,19,20,21,26)
Definition date:	2013-03-12
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-[2-(6-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W7K

W7K
Name:	5-[2-(3,6-dimethoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C19 H18 N2 O6
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc(OC)cc2cc3OC
InChi:	InChI=1S/C19H18N2O6/c1-26-13-5-3-10-7-11(15(27-2)9-12(10)8-13)4-6-14-16(18(23)24)20-19(25)21-17(14)22/h3,5,7-9H,4,6H2,1-2H3,(H,23,24)(H2,20,21,22,25)
Definition date:	2013-03-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-[2-(3,6-dimethoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W7L

W7L
Name:	5-[2-(6-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C18 H16 N2 O5
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3c2ccc(OC)cc2ccc3
InChi:	InChI=1S/C18H16N2O5/c1-25-12-6-8-13-10(3-2-4-11(13)9-12)5-7-14-15(17(22)23)19-18(24)20-16(14)21/h2-4,6,8-9H,5,7H2,1H3,(H,22,23)(H2,19,20,21,24)
Definition date:	2013-03-12
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-[2-(6-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W7M

W7M
Name:	5-{2-[6-(methoxycarbonyl)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C19 H16 N2 O6
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc(C(=O)OC)cc2cc3
InChi:	InChI=1S/C19H16N2O6/c1-27-18(25)13-6-5-11-8-10(2-4-12(11)9-13)3-7-14-15(17(23)24)20-19(26)21-16(14)22/h2,4-6,8-9H,3,7H2,1H3,(H,23,24)(H2,20,21,22,26)
Definition date:	2013-03-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-{2-[6-(methoxycarbonyl)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W7N

W7N
Name:	5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C20 H19 N3 O6
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccc(C(=O)NCCO)cc2cc3
InChi:	InChI=1S/C20H19N3O6/c24-8-7-21-17(25)14-5-4-12-9-11(1-3-13(12)10-14)2-6-15-16(19(27)28)22-20(29)23-18(15)26/h1,3-5,9-10,24H,2,6-8H2,(H,21,25)(H,27,28)(H2,22,23,26,29)
Definition date:	2013-03-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W7O

W7O
Name:	5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C14 H12 N2 O6
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cccc(C(=O)O)c2
InChi:	InChI=1S/C14H12N2O6/c17-11-9(10(13(20)21)15-14(22)16-11)5-4-7-2-1-3-8(6-7)12(18)19/h1-3,6H,4-5H2,(H,18,19)(H,20,21)(H2,15,16,17,22)
Definition date:	2013-03-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-[2-(3-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W7P

W7P
Name:	5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C14 H12 N2 O6
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(C(=O)O)cc2
InChi:	InChI=1S/C14H12N2O6/c17-11-9(10(13(20)21)15-14(22)16-11)6-3-7-1-4-8(5-2-7)12(18)19/h1-2,4-5H,3,6H2,(H,18,19)(H,20,21)(H2,15,16,17,22)
Definition date:	2013-03-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-[2-(4-carboxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W7Q

W7Q
Name:	5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C20 H23 N3 O6
SMILES:	O=C(O)C=1NC(=O)NC(=O)C=1CCc2cc3c(cc2)N(C(=O)OC(C)(C)C)CC3
InChi:	InChI=1S/C20H23N3O6/c1-20(2,3)29-19(28)23-9-8-12-10-11(5-7-14(12)23)4-6-13-15(17(25)26)21-18(27)22-16(13)24/h5,7,10H,4,6,8-9H2,1-3H3,(H,25,26)(H2,21,22,24,27)
Definition date:	2013-03-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

XXC

XXC
Name:	7-phenylheptanoic acid
Formula:	C13 H18 O2
SMILES:	O=C(O)CCCCCCc1ccccc1
InChi:	InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)
Definition date:	2014-02-14
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	7-phenylheptanoic acid

11Z

11Z
Name:	11-cyclohexylundecanoic acid
Formula:	C17 H32 O2
SMILES:	O=C(O)CCCCCCCCCCC1CCCCC1
InChi:	InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)
Definition date:	2014-02-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	11-cyclohexylundecanoic acid

2NK

2NK
Name:	2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol
Formula:	C22 H21 F2 N3 O
SMILES:	Fc1cc(cc(F)c1O)c2cnccc2c3ccc(cc3)N4CCN(C)CC4
InChi:	InChI=1S/C22H21F2N3O/c1-26-8-10-27(11-9-26)17-4-2-15(3-5-17)18-6-7-25-14-19(18)16-12-20(23)22(28)21(24)13-16/h2-7,12-14,28H,8-11H2,1H3
Definition date:	2013-12-10
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol

2RE

2RE
Name:	4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol
Formula:	C20 H14 F N3 O
SMILES:	Fc4ccc(c2nc(c1ccc(O)cc1)nc2c3ccncc3)cc4
InChi:	InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
Definition date:	2014-01-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol

2RF

2RF
Name:	3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione
Formula:	C16 H10 Cl2 N2 O3
SMILES:	O=C2C(Nc1cc(Cl)c(O)cc1)=C(C(=O)N2)c3cccc(Cl)c3
InChi:	InChI=1S/C16H10Cl2N2O3/c17-9-3-1-2-8(6-9)13-14(16(23)20-15(13)22)19-10-4-5-12(21)11(18)7-10/h1-7,21H,(H2,19,20,22,23)
Definition date:	2014-01-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione

2RK

2RK
Name:	4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine
Formula:	C22 H23 N5 O
SMILES:	O=NC2=C1C=C/C(C=C1CC2)=C4/N=C(NC/4=C3C=CNC=C3)C5CCNCC5
InChi:	InChI=1S/C22H23N5O/c28-27-19-4-2-16-13-17(1-3-18(16)19)21-20(14-5-9-23-10-6-14)25-22(26-21)15-7-11-24-12-8-15/h1,3,5-6,9-10,13,15,23-24H,2,4,7-8,11-12H2,(H,25,26)/b21-17-
Definition date:	2014-01-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine

2RN

2RN
Name:	3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol
Formula:	C20 H15 N3 O
SMILES:	n2c(c(c1cccc(O)c1)nc2c3ccccc3)c4ccncc4
InChi:	InChI=1S/C20H15N3O/c24-17-8-4-7-16(13-17)19-18(14-9-11-21-12-10-14)22-20(23-19)15-5-2-1-3-6-15/h1-13,24H,(H,22,23)
Definition date:	2014-01-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol

2RR

2RR
Name:	3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile
Formula:	C20 H17 N7 O2
SMILES:	O=C(c1ccc(N)cc1)Cn3c4ccccc4nc3c2nonc2NCCC#N
InChi:	InChI=1S/C20H17N7O2/c21-10-3-11-23-19-18(25-29-26-19)20-24-15-4-1-2-5-16(15)27(20)12-17(28)13-6-8-14(22)9-7-13/h1-2,4-9H,3,11-12,22H2,(H,23,26)
Definition date:	2014-01-14
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile

2S6

2S6
Name:	4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
Formula:	C27 H34 N2 O2
SMILES:	N#Cc4ccc(OCCCN1CCC(CC1)C(O)(c2ccccc2)C3CCCC3)cc4
InChi:	InChI=1S/C27H34N2O2/c28-21-22-11-13-26(14-12-22)31-20-6-17-29-18-15-25(16-19-29)27(30,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25,30H,4-6,9-10,15-20H2/t27-/m1/s1
Definition date:	2014-01-17
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile

2S7

2S7
Name:	4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile
Formula:	C26 H33 N3 O2
SMILES:	N#Cc4ccc(OCCCN1CCC(CC1)C(O)(c2ncccc2)C3CCCC3)cc4
InChi:	InChI=1S/C26H33N3O2/c27-20-21-9-11-24(12-10-21)31-19-5-16-29-17-13-23(14-18-29)26(30,22-6-1-2-7-22)25-8-3-4-15-28-25/h3-4,8-12,15,22-23,30H,1-2,5-7,13-14,16-19H2/t26-/m0/s1
Definition date:	2014-01-16
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile

2S9

2S9
Name:	4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile
Formula:	C27 H33 F N2 O2
SMILES:	Fc1cccc(c1)C(O)(C3CCN(CCCOc2ccc(C#N)cc2)CC3)C4CCCC4
InChi:	InChI=1S/C27H33FN2O2/c28-25-8-3-7-24(19-25)27(31,22-5-1-2-6-22)23-13-16-30(17-14-23)15-4-18-32-26-11-9-21(20-29)10-12-26/h3,7-12,19,22-23,31H,1-2,4-6,13-18H2/t27-/m1/s1
Definition date:	2014-01-16
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile

2SE

2SE
Name:	4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide
Formula:	C25 H35 N3 O4 S
SMILES:	O=S(=O)(N)c4ccc(OCCCN1CCC(CC1)C(O)(c2ncccc2)C3CCCC3)cc4
InChi:	InChI=1S/C25H35N3O4S/c26-33(30,31)23-11-9-22(10-12-23)32-19-5-16-28-17-13-21(14-18-28)25(29,20-6-1-2-7-20)24-8-3-4-15-27-24/h3-4,8-12,15,20-21,29H,1-2,5-7,13-14,16-19H2,(H2,26,30,31)/t25-/m0/s1
Definition date:	2014-01-16
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide

2SF

2SF
Name:	4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
Formula:	C27 H35 N3 O
SMILES:	N#Cc4ccc(OCCCN1CCC(CC1)C(c2ccccc2)(N)C3CCCC3)cc4
InChi:	InChI=1S/C27H35N3O/c28-21-22-11-13-26(14-12-22)31-20-6-17-30-18-15-25(16-19-30)27(29,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25H,4-6,9-10,15-20,29H2/t27-/m1/s1
Definition date:	2014-01-16
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile

2SX

2SX
Name:	(5-bromo-1H-indol-3-yl)acetic acid
Formula:	C10 H8 Br N O2
SMILES:	O=C(O)Cc2c1cc(Br)ccc1nc2
InChi:	InChI=1S/C10H8BrNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
Definition date:	2014-01-27
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	(5-bromo-1H-indol-3-yl)acetic acid

2SY

2SY
Name:	[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
Formula:	C17 H14 Cl N O2
SMILES:	O=C(O)Cc2c1ccccc1n(c2)Cc3cccc(Cl)c3
InChi:	InChI=1S/C17H14ClNO2/c18-14-5-3-4-12(8-14)10-19-11-13(9-17(20)21)15-6-1-2-7-16(15)19/h1-8,11H,9-10H2,(H,20,21)
Definition date:	2014-01-27
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid

<1170 1171 1172 1173 1174 1175 117611771178 1179 1180 1181 1182 1183 1184 1185 >

225946

數據於2024-10-09公開中

PDB statistics

PDBj update info

Contact PDBj

numon