Chemie クエリの検索結果 - 日本蛋白質構造データバンク

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PDB ウェブページステータス検索化合物検索: 39969 件 BIRD

FIR

FIR
表記:	(2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE
組成式:	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
別名:	FIDARESTAT(STEREOISOMER)
定義日:	2004-08-24
最終更新日:	2021-03-01
識別子（ID）:	(2R,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide

FIS

FIS
表記:	(2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE
組成式:	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
別名:	FIDARESTAT(STEREOISOMER)
定義日:	2004-08-24
最終更新日:	2021-03-01
識別子（ID）:	(2S,4R)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide

FIT

FIT
表記:	(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
組成式:	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
別名:	FINASTERIDE
定義日:	2009-02-11
最終更新日:	2021-03-01
識別子（ID）:	(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

FIX

FIX
表記:	D-fructuronic acid
組成式:	C6 H8 O7
SMILES:	O=C(O)C(O)C(O)C(O)C(=O)C=O
InChi:	InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1,3-5,9-11H,(H,12,13)/t3-,4+,5+/m1/s1
別名:	D-Fructuronate
定義日:	2009-05-26
最終更新日:	2021-03-01
識別子（ID）:	D-fructosuronic acid

ECB

ECB
表記:	1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
組成式:	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-
別名:	2-arachidonoylglycerol
定義日:	2017-12-07
最終更新日:	2021-03-01
公開日:	2018-12-12
識別子（ID）:	1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

ECL

ECL
表記:	1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
組成式:	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
別名:	R-Econazole
定義日:	2010-02-16
最終更新日:	2021-03-01
識別子（ID）:	1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole

EDH

EDH
表記:	N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide
組成式:	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)
別名:	EDHS-206
定義日:	2017-05-17
最終更新日:	2021-03-01
公開日:	2017-08-30
識別子（ID）:	N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide

EDO

EDO
表記:	1,2-ETHANEDIOL
組成式:	C2 H6 O2
SMILES:	OCCO
InChi:	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
別名:	ETHYLENE GLYCOL
定義日:	1999-07-08
最終更新日:	2021-03-01
識別子（ID）:	ethane-1,2-diol

EDP

EDP
表記:	5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
組成式:	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
別名:	Thiopental
定義日:	2011-04-05
最終更新日:	2021-03-01
識別子（ID）:	5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

EDV

EDV
表記:	1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione
組成式:	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
別名:	(2'S)-2'-DEOXY-2'-METHYL-5-ETHYNYLURIDINE
定義日:	2014-02-12
最終更新日:	2021-03-01
公開日:	2014-08-13
識別子（ID）:	1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione

EE1

EE1
表記:	(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
組成式:	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
別名:	NADPH with ketoglutarate adduct
定義日:	2018-01-02
最終更新日:	2021-03-01
公開日:	2018-02-07
識別子（ID）:	(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
表記:	[(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
組成式:	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
別名:	Se-ADENOSYLSELENOMETHIONINE
定義日:	2008-09-03
最終更新日:	2021-03-01
識別子（ID）:	[(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
表記:	N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine
組成式:	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
別名:	N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl)propan-1-amine
定義日:	2014-10-21
最終更新日:	2021-03-01
公開日:	2014-12-24
識別子（ID）:	N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine

EGR

EGR
表記:	ethyl 3,4,5-trihydroxybenzoate
組成式:	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
別名:	ethyl gallate
定義日:	2013-02-14
最終更新日:	2021-03-01
公開日:	2013-05-22
識別子（ID）:	ethyl 3,4,5-trihydroxybenzoate

EGT

EGT
表記:	2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL
組成式:	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
別名:	EPIGALLOCATECHIN
定義日:	2001-08-14
最終更新日:	2021-03-01
識別子（ID）:	(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

EHD

EHD
表記:	4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE
組成式:	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
別名:	CAMPTOTHECIN
定義日:	2004-06-09
最終更新日:	2021-03-01
識別子（ID）:	(4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

EIT

EIT
表記:	((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
組成式:	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
別名:	2'-O-[1-ETHYL-1H-IMIDAZOL)] THYMIDINE-5'-MONOPHOSPHATE
定義日:	2004-12-16
最終更新日:	2021-03-01
識別子（ID）:	2'-O-[2-(1H-imidazol-1-yl)ethyl]-5-methyluridine 5'-(dihydrogen phosphate)

EJ4

EJ4
表記:	(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
組成式:	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
別名:	Naltrindole
定義日:	2012-04-13
最終更新日:	2021-03-01
識別子（ID）:	(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

EKZ

EKZ
表記:	4-tert-butylbenzene-1,2-diol
組成式:	C10 H14 O2
SMILES:	Oc1ccc(cc1O)C(C)(C)C
InChi:	InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
別名:	4-tert-Butylcatechol (CAS 98-29-3)
定義日:	2013-05-21
最終更新日:	2021-03-01
公開日:	2014-04-23
識別子（ID）:	4-tert-butylbenzene-1,2-diol

ELD

ELD
表記:	(9E)-OCTADEC-9-ENAMIDE
組成式:	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)
別名:	ELAIDOYLAMIDE
定義日:	2003-12-02
最終更新日:	2021-03-01
識別子（ID）:	(9Z)-octadec-9-enamide

EML

EML
表記:	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
組成式:	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)
別名:	SCH 1473759
定義日:	2010-05-11
最終更新日:	2021-03-01
識別子（ID）:	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
表記:	N-BENZYL-9H-PURIN-6-AMINE
組成式:	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)
別名:	BENZYLAMINOPURINE
定義日:	2006-10-19
最終更新日:	2021-03-01
識別子（ID）:	N-benzyl-9H-purin-6-amine

ENB

ENB
表記:	ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE
組成式:	C29 H42 N4 O7
SMILES:	O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(C=CC(=O)OCC)CC1C(=O)NCC1)c2ccccc2)C(C)C
InChi:	InChI=1S/C29H42N4O7/c1-7-39-22(34)14-13-21(17-20-15-16-30-25(20)35)31-27(37)24(19-11-9-8-10-12-19)32-26(36)23(18(2)3)33-28(38)40-29(4,5)6/h8-14,18,20-21,23-24H,7,15-17H2,1-6H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)/b14-13+/t20-,21?,23-,24-/m0/s1
別名:	(E)-(S)-4-[(S)-2-((S)-2-TERT-BUTOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-2-PHENYL-ACETYLAMINO]-5-(2-OXO-PYRROLIDIN-3-YL)-PENT-2-ENOIC ACID ETHYL ESTER
定義日:	2004-08-16
最終更新日:	2021-03-01
識別子（ID）:	ethyl (2E,4S)-4-{[(2S)-2-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-2-phenylacetyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

ENO

ENO
表記:	3-(4-HYDROXY-PHENYL)PYRUVIC ACID
組成式:	C9 H8 O4
SMILES:	O=C(O)C(=O)Cc1ccc(O)cc1
InChi:	InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
別名:	HPP
定義日:	1999-07-08
最終更新日:	2021-03-01
識別子（ID）:	3-(4-hydroxyphenyl)-2-oxopropanoic acid

EOL

EOL
表記:	2-methoxy-4-(prop-2-en-1-yl)phenol
組成式:	C10 H12 O2
SMILES:	Oc1ccc(cc1OC)CC=C
InChi:	InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
別名:	eugenol
定義日:	2011-05-17
最終更新日:	2021-03-01
識別子（ID）:	2-methoxy-4-(prop-2-en-1-yl)phenol

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