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: 36565 results BIRD

FEX

FEX
Name:	METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE
Formula:	C32 H38 N2 O3
SMILES:	O=C(N(c1cccc(c1)CCC(=O)OC)Cc3ccc(c2ccc(N(C)C)cc2)cc3)C4CCCCC4
InChi:	InChI=1S/C32H38N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-13,15-20,22,28H,4-6,9-10,14,21,23H2,1-3H3
Synonyms:	FEXARAMINE
Definition date:	2003-03-20
Last modified:	2021-03-01
Identifier:	methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}propanoate

FFA

FFA
Name:	(10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE
Formula:	C19 H28 O2
SMILES:	O=C4C=C3C(C2CCC1(C(CCC1O)C2CC3)C)(C)CC4
InChi:	InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
Synonyms:	EPI-TESTOSTERONE
Definition date:	2006-10-16
Last modified:	2021-03-01
Identifier:	(10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one

FFT

FFT
Name:	(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate
Formula:	C15 H27 O4 P
SMILES:	O=P(OCC=C(/CC/C=C(/C)CCC=C(/C)C)C)(O)O
InChi:	InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11-
Synonyms:	farnesyl monophosphate
Definition date:	2011-11-03
Last modified:	2021-03-01
Identifier:	(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate

FGT

FGT
Name:	3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
Formula:	C20 H14 O4
SMILES:	Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4
InChi:	InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
Synonyms:	phenolphthalein
Definition date:	2018-06-30
Last modified:	2021-03-01
Release date:	2019-06-05
Identifier:	3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one

FIH

FIH
Name:	5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID
Formula:	C18 H14 F N O4 S2
SMILES:	O=C(O)c2sc(cc2NS(=O)(=O)c1ccc(cc1)C)c3ccc(F)cc3
InChi:	InChI=1S/C18H14FNO4S2/c1-11-2-8-14(9-3-11)26(23,24)20-15-10-16(25-17(15)18(21)22)12-4-6-13(19)7-5-12/h2-10,20H,1H3,(H,21,22)
Synonyms:	5-(4-FLUOROPHENYL)-3-(TOSYLAMINO)THIOPHENE-2-CARBOXYLIC ACI
Definition date:	2005-10-06
Last modified:	2021-03-01
Identifier:	5-(4-fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid

FII

FII
Name:	[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID
Formula:	C17 H30 N O5 P
SMILES:	O=C(NOCC=C(/C)CCC=C(/C)CCC=C(/C)C)CP(=O)(O)O
InChi:	InChI=1S/C17H30NO5P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-23-18-17(19)13-24(20,21)22/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)/b15-9+,16-11+
Synonyms:	FPP ANALOG
Definition date:	1999-10-27
Last modified:	2021-03-01
Identifier:	[2-oxo-2-({[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}amino)ethyl]phosphonic acid

FIR

FIR
Name:	(2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE
Formula:	C12 H10 F N3 O4
SMILES:	Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3
InChi:	InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m1/s1
Synonyms:	FIDARESTAT(STEREOISOMER)
Definition date:	2004-08-24
Last modified:	2021-03-01
Identifier:	(2R,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide

FIS

FIS
Name:	(2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE
Formula:	C12 H10 F N3 O4
SMILES:	Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3
InChi:	InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m0/s1
Synonyms:	FIDARESTAT(STEREOISOMER)
Definition date:	2004-08-24
Last modified:	2021-03-01
Identifier:	(2S,4R)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide

FIT

FIT
Name:	(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
Formula:	C23 H36 N2 O2
SMILES:	O=C(NC(C)(C)C)C2C1(CCC3C(C1CC2)CCC4NC(=O)C=CC34C)C
InChi:	InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
Synonyms:	FINASTERIDE
Definition date:	2009-02-11
Last modified:	2021-03-01
Identifier:	(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide

ECB

ECB
Name:	1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Formula:	C23 H38 O4
SMILES:	CCCCCC=C/CC=C/C[C@H]=[C@H]C[C@H]=[C@H]CCCC(=O)OC(CO)CO
InChi:	InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
Synonyms:	2-arachidonoylglycerol
Definition date:	2017-12-07
Last modified:	2021-03-01
Release date:	2018-12-12
Identifier:	1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

ECL

ECL
Name:	1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
Formula:	C18 H15 Cl3 N2 O
SMILES:	Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2)Cn3ccnc3
InChi:	InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m0/s1
Synonyms:	R-Econazole
Definition date:	2010-02-16
Last modified:	2021-03-01
Identifier:	1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole

EDH

EDH
Name:	N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide
Formula:	C18 H18 N4 O2
SMILES:	C(c3cccc(C(=O)/N=C1Nc2c(N1CCC)cccc2)c3)(=O)N
InChi:	InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)
Synonyms:	EDHS-206
Definition date:	2017-05-17
Last modified:	2021-03-01
Release date:	2017-08-30
Identifier:	N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide

EDP

EDP
Name:	5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Formula:	C11 H18 N2 O2 S
SMILES:	O=C1NC(=S)NC(=O)C1(C(C)CCC)CC
InChi:	InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/t7-/m1/s1
Synonyms:	Thiopental
Definition date:	2011-04-05
Last modified:	2021-03-01
Identifier:	5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

EDV

EDV
Name:	1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione
Formula:	C12 H14 N2 O5
SMILES:	O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2C)CO
InChi:	InChI=1S/C12H14N2O5/c1-3-7-4-14(12(18)13-10(7)17)11-6(2)9(16)8(5-15)19-11/h1,4,6,8-9,11,15-16H,5H2,2H3,(H,13,17,18)/t6-,8+,9-,11+/m0/s1
Synonyms:	(2'S)-2'-DEOXY-2'-METHYL-5-ETHYNYLURIDINE
Definition date:	2014-02-12
Last modified:	2021-03-01
Release date:	2014-08-13
Identifier:	1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione

EE1

EE1
Name:	(3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid
Formula:	C26 H34 N7 O22 P3
SMILES:	NC(=O)C1=CN(C=C[CH]1[CH](CC(O)=O)C(=O)C(O)=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C26H34N7O22P3/c27-21-15-23(30-7-29-21)33(8-31-15)25-20(54-56(43,44)45)18(38)13(53-25)6-51-58(48,49)55-57(46,47)50-5-12-17(37)19(39)24(52-12)32-2-1-9(11(4-32)22(28)40)10(3-14(34)35)16(36)26(41)42/h1-2,4,7-10,12-13,17-20,24-25,37-39H,3,5-6H2,(H2,28,40)(H,34,35)(H,41,42)(H,46,47)(H,48,49)(H2,27,29,30)(H2,43,44,45)/t9-,10-,12+,13+,17+,18+,19+,20+,24+,25+/m0/s1
Synonyms:	NADPH with ketoglutarate adduct
Definition date:	2018-01-02
Last modified:	2021-03-01
Release date:	2018-02-07
Identifier:	(3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid

EEM

EEM
Name:	[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium
Formula:	C15 H23 N6 O5 Se
SMILES:	O=C(O)C(N)CC[Se+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27-/m0/s1
Synonyms:	Se-ADENOSYLSELENOMETHIONINE
Definition date:	2008-09-03
Last modified:	2021-03-01
Identifier:	[(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}methylselenonium (non-preferred name)

EG8

EG8
Name:	N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine
Formula:	C17 H20 N6
SMILES:	n1ccc(nc1n2ccnc2)CCNCCCc3cccnc3
InChi:	InChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2
Synonyms:	N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl)propan-1-amine
Definition date:	2014-10-21
Last modified:	2021-03-01
Release date:	2014-12-24
Identifier:	N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine

EGR

EGR
Name:	ethyl 3,4,5-trihydroxybenzoate
Formula:	C9 H10 O5
SMILES:	O=C(OCC)c1cc(O)c(O)c(O)c1
InChi:	InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3
Synonyms:	ethyl gallate
Definition date:	2013-02-14
Last modified:	2021-03-01
Release date:	2013-05-22
Identifier:	ethyl 3,4,5-trihydroxybenzoate

EGT

EGT
Name:	2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL
Formula:	C15 H14 O7
SMILES:	Oc1cc(cc(O)c1O)C3Oc2cc(O)cc(O)c2CC3O
InChi:	InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
Synonyms:	EPIGALLOCATECHIN
Definition date:	2001-08-14
Last modified:	2021-03-01
Identifier:	(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

EHD

EHD
Name:	4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE
Formula:	C20 H16 N2 O4
SMILES:	O=C1N4C(=CC2=C1COC(=O)C2(O)CC)c3nc5c(cc3C4)cccc5
InChi:	InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
Synonyms:	CAMPTOTHECIN
Definition date:	2004-06-09
Last modified:	2021-03-01
Identifier:	(4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

EIT

EIT
Name:	((3R,4R,5R)-4-(2-(1H-IMIDAZOL-1-YL)ETHOXY)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:	C15 H21 N4 O9 P
SMILES:	O=C1NC(=O)N(C=C1C)C3OC(C(O)C3OCCn2ccnc2)COP(=O)(O)O
InChi:	InChI=1S/C15H21N4O9P/c1-9-6-19(15(22)17-13(9)21)14-12(26-5-4-18-3-2-16-8-18)11(20)10(28-14)7-27-29(23,24)25/h2-3,6,8,10-12,14,20H,4-5,7H2,1H3,(H,17,21,22)(H2,23,24,25)/t10-,11-,12-,14-/m1/s1
Synonyms:	2'-O-[1-ETHYL-1H-IMIDAZOL)] THYMIDINE-5'-MONOPHOSPHATE
Definition date:	2004-12-16
Last modified:	2021-03-01
Identifier:	2'-O-[2-(1H-imidazol-1-yl)ethyl]-5-methyluridine 5'-(dihydrogen phosphate)

EJ4

EJ4
Name:	(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol
Formula:	C26 H26 N2 O3
SMILES:	Oc4c3OC7c2c(c1ccccc1n2)CC6(O)C5N(CCC67c3c(cc4)C5)CC8CC8
InChi:	InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
Synonyms:	Naltrindole
Definition date:	2012-04-13
Last modified:	2021-03-01
Identifier:	(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol

ELD

ELD
Name:	(9E)-OCTADEC-9-ENAMIDE
Formula:	C18 H35 N O
SMILES:	O=C(N)CCCCCCCC=C/CCCCCCCC
InChi:	InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)
Synonyms:	ELAIDOYLAMIDE
Definition date:	2003-12-02
Last modified:	2021-03-01
Identifier:	(9Z)-octadec-9-enamide

EML

EML
Name:	2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol
Formula:	C20 H26 N8 O S
SMILES:	n1ncc(c1)c2cnc3n2cc(nc3Nc4snc(c4)CN(CC)C(C)(C)CO)C
InChi:	InChI=1S/C20H26N8OS/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25)
Synonyms:	SCH 1473759
Definition date:	2010-05-11
Last modified:	2021-03-01
Identifier:	2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}-1,2-thiazol-3-yl)methyl]amino}-2-methylpropan-1-ol

EMU

EMU
Name:	N-BENZYL-9H-PURIN-6-AMINE
Formula:	C12 H11 N5
SMILES:	n2c1c(ncn1)c(nc2)NCc3ccccc3
InChi:	InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
Synonyms:	BENZYLAMINOPURINE
Definition date:	2006-10-19
Last modified:	2021-03-01
Identifier:	N-benzyl-9H-purin-6-amine

<425 426 427 428 429 430 431432433 434 435 436 437 438 439 440 >

223790

數據於2024-08-14公開中

PDB statistics

PDBj update info

Contact PDBj

numon