Chemie Search results for query - 日本蛋白质结构数据库

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: 44311 results BIRD

IBA

IBA
Name:	4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
Formula:	C18 H27 N3 O4
SMILES:	O=C(O)c1cc(c(cc1)N2C(=O)CCC2(CN)CO)NC(CC)CC
InChi:	InChI=1S/C18H27N3O4/c1-3-13(4-2)20-14-9-12(17(24)25)5-6-15(14)21-16(23)7-8-18(21,10-19)11-22/h5-6,9,13,20,22H,3-4,7-8,10-11,19H2,1-2H3,(H,24,25)/t18-/m1/s1
Synonyms:	1-(4-CARBOXY-2-(3-PENTYLAMINO)PHENYL)-5-AMINOMETHYL-5-HYDROXYMETHYL-PYRROLIDIN-2-ONE
Definition date:	2003-07-31
Last modified:	2020-06-17
Identifier:	4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid

IBC

IBC
Name:	3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE
Formula:	C11 H14 N2 O4
SMILES:	O=C(O)C(N)CC2=CCCCc1onc(O)c12
InChi:	InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1
Synonyms:	2-AMINO-3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]-4-ISOXAZOLYL)PROPIONIC ACID
Definition date:	2004-12-16
Last modified:	2020-06-17
Identifier:	3-(3-hydroxy-7,8-dihydro-6H-cyclohepta[d]isoxazol-4-yl)-L-alanine

IBN

IBN
Name:	2-METHYLPROPAN-1-AMINE
Formula:	C4 H11 N
SMILES:	NCC(C)C
InChi:	InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
Synonyms:	ISOBUTYRONITRILE
Definition date:	2007-06-26
Last modified:	2020-06-17
Identifier:	2-methylpropan-1-amine

IBP

IBP
Name:	IBUPROFEN
Formula:	C13 H18 O2
SMILES:	O=C(O)C(c1ccc(cc1)CC(C)C)C
InChi:	InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
Synonyms:	2-(4-ISOBUTYLPHENYL)PROPIONIC ACID
Definition date:	2000-04-10
Last modified:	2020-06-17
Identifier:	(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid

IC1

IC1
Name:	3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE
Formula:	C18 H17 N O4
SMILES:	O=C2C(c1ccccc1N2)=Cc3c(OC)cc(OC)cc3OC
InChi:	InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+
Synonyms:	IC261
Definition date:	2000-02-25
Last modified:	2020-06-17
Identifier:	(3E)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-dihydro-2H-indol-2-one

ICD

ICD
Name:	4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
Formula:	C14 H13 N3 O5 S
SMILES:	O=C(C2=C(O)c1c(cccc1)S(=O)(=O)N2C)Nc3noc(c3)C
InChi:	InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19)
Synonyms:	Isoxicam
Definition date:	2013-08-09
Last modified:	2020-06-17
Release date:	2014-01-22
Identifier:	4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide

ICF

ICF
Name:	1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER
Formula:	C3 H2 Cl F5 O
SMILES:	(2S)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
InChi:	InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m1/s1
Synonyms:	ISOFLURANE
Definition date:	2004-11-19
Last modified:	2020-06-17
Identifier:	(1S)-1-chloro-2,2,2-trifluoroethyl difluoromethyl ether

ICJ

ICJ
Name:	(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2S,4R)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-yli dene}ethylidene]-4-methylidenecyclohexane-1,3-diol
Formula:	C31 H52 O3
SMILES:	OC3C(=C)C(=C/C=C1CCCC2(C)C(C(C)C(CCCC)CC(O)C(C)C)CCC12)CC(O)C3
InChi:	InChI=1S/C31H52O3/c1-7-8-10-24(18-29(33)20(2)3)21(4)27-14-15-28-23(11-9-16-31(27,28)6)12-13-25-17-26(32)19-30(34)22(25)5/h12-13,20-21,24,26-30,32-34H,5,7-11,14-19H2,1-4,6H3/b23-12+,25-13-/t21-,24+,26-,27-,28+,29-,30+,31-/m1/s1
Synonyms:	22S-butyl-1a,24R-dihydroxyvitamin D3
Definition date:	2010-03-17
Last modified:	2020-06-17
Identifier:	(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R,3S,5R)-3-butyl-5-hydroxy-6-methylheptan-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name)

ID5

ID5
Name:	[5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID
Formula:	C17 H10 F4 N2 O4 S
SMILES:	Fc1ccc(c(OCC(=O)O)c1)C(=O)NCc2nc3c(F)c(F)cc(F)c3s2
InChi:	InChI=1S/C17H10F4N2O4S/c18-7-1-2-8(11(3-7)27-6-13(24)25)17(26)22-5-12-23-15-14(21)9(19)4-10(20)16(15)28-12/h1-4H,5-6H2,(H,22,26)(H,24,25)
Synonyms:	IDD552
Definition date:	2004-05-07
Last modified:	2020-06-17
Identifier:	(5-fluoro-2-{[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]carbamoyl}phenoxy)acetic acid

ID8

ID8
Name:	2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID
Formula:	C15 H15 N O2
SMILES:	O=C(O)c2c(Nc1cccc(c1C)C)cccc2
InChi:	InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
Synonyms:	MEFENAMIC ACID
Definition date:	2010-07-30
Last modified:	2020-06-17
Identifier:	2-[(2,3-dimethylphenyl)amino]benzoic acid

IDB

IDB
Name:	3-[5-[(3-CARBOXY-2,4,6-TRIIODO-PHENYL)CARBAMOYL]PENTANOYLAMINO]-2,4,6-TRIIODO-BENZOIC ACID
Formula:	C20 H14 I6 N2 O6
SMILES:	O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I
InChi:	InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
Synonyms:	3,3'-[(1,6-DIOXOHEXANE-1,6-DIYL)DIIMINO]BIS(2,4,6-TRIIODOBENZOIC ACID)
Definition date:	2005-07-26
Last modified:	2020-06-17
Identifier:	3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(2,4,6-triiodobenzoic acid)

IDJ

IDJ
Name:	(2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid
Formula:	C6 H11 N O5
SMILES:	O=C(O)C1NCC(O)C(O)C1O
InChi:	InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3+,4+,5+/m0/s1
Synonyms:	[2R,3R,4R,5S]-2-carboxy-3,4,5-trihydroxy-piperidine
Definition date:	2013-05-07
Last modified:	2020-06-17
Release date:	2013-09-18
Identifier:	(2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid

IDN

IDN
Name:	(E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE
Formula:	C22 H22 N4 O2
SMILES:	O=C2Nc1ncc(cc1CC2)C=CC(=O)N(C)Cc4c3ccccc3n(c4)C
InChi:	InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+
Synonyms:	INDOLE NAPHTHYRIDINONE
Definition date:	2002-08-28
Last modified:	2020-06-17
Identifier:	(2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide

IF7

IF7
Name:	(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one
Formula:	C6 H11 N O4
SMILES:	OC[CH]1CNC(=O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4+,5+/m1/s1
Synonyms:	ISO-GALACTO-FAGOMINE LACTAM
Definition date:	2015-03-17
Last modified:	2020-06-17
Release date:	2015-03-25
Identifier:	(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one

EF1

EF1
Name:	(2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid
Formula:	C21 H35 N2 O5 P
SMILES:	O=C(O)C(CCCCCN)CP(=O)(O)C(NC(=O)CCc1ccccc1)C(C)C
InChi:	InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1
Synonyms:	EF6265
Definition date:	2013-06-13
Last modified:	2020-06-17
Release date:	2013-10-02
Identifier:	(2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid

EF6

EF6
Name:	N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
Formula:	C14 H12 Cl N3 O4 S2
SMILES:	N(S(=O)(c1ccc(cc1)S(N)(=O)=O)=O)c2cccc3c2ncc3Cl
InChi:	InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
Synonyms:	Indisulam
Definition date:	2019-08-05
Last modified:	2020-06-17
Release date:	2019-11-13
Identifier:	N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide

EFG

EFG
Name:	1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one
Formula:	C12 H13 F N5 O7 P
SMILES:	O=P(O)(O)OCC4OC(n1cnc3c1n2ccnc2NC3=O)C(F)C4O
InChi:	InChI=1S/C12H13FN5O7P/c13-6-8(19)5(3-24-26(21,22)23)25-11(6)18-4-15-7-9(20)16-12-14-1-2-17(12)10(7)18/h1-2,4-6,8,11,19H,3H2,(H,14,16,20)(H2,21,22,23)/t5-,6+,8-,11-/m1/s1
Synonyms:	2'-F-N2,3-etheno-2'-deoxyarabinoguanosine
Definition date:	2012-01-04
Last modified:	2020-06-17
Identifier:	1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1H-imidazo[2,1-b]purin-4(5H)-one

EFZ

EFZ
Name:	(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE
Formula:	C14 H9 Cl F3 N O2
SMILES:	FC(F)(F)C3(C#CC1CC1)OC(=O)Nc2c3cc(Cl)cc2
InChi:	InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
Synonyms:	DMP-266
Definition date:	2000-08-15
Last modified:	2020-06-17
Identifier:	(4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one

EGC

EGC
Name:	2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL
Formula:	C32 H58 O10
SMILES:	O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCO
InChi:	InChI=1S/C32H58O10/c1-31(2,3)28-32(4,5)29-6-8-30(9-7-29)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33/h6-9,33H,10-28H2,1-5H3
Synonyms:	TRITON X-100
Definition date:	2001-08-02
Last modified:	2020-06-17
Identifier:	26-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol

EHA

EHA
Name:	(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-1H-INDOL-1-YL)ACETIC ACID
Formula:	C33 H31 N O5
SMILES:	O=C(c1ccccc1)c5cc4ccc(OCCCOc2cc3c(cc2)n(cc3)CC(=O)O)c(c4cc5)CCC
InChi:	InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)
Synonyms:	2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID
Definition date:	2005-11-29
Last modified:	2020-06-17
Identifier:	[5-(3-{[6-(phenylcarbonyl)-1-propylnaphthalen-2-yl]oxy}propoxy)-1H-indol-1-yl]acetic acid

EHM

EHM
Name:	(2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE
Formula:	C4 H9 N O5
SMILES:	O=C(NO)C(O)C(O)CO
InChi:	InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1
Synonyms:	D-ERYTHRONOHYDROXAMATE
Definition date:	2006-08-04
Last modified:	2020-06-17
Identifier:	(2R,3R)-N,2,3,4-tetrahydroxybutanamide

EIC

EIC
Name:	LINOLEIC ACID
Formula:	C18 H32 O2
SMILES:	O=C(O)CCCCCCCC=C/CC=C/CCCCC
InChi:	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
Synonyms:	9,12-LINOLEIC ACID
Definition date:	2001-04-20
Last modified:	2020-06-17
Identifier:	(9Z,12Z)-octadeca-9,12-dienoic acid

EJZ

EJZ
Name:	5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C5 H3 N3 O6
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)[N+]([O-])=O
InChi:	InChI=1S/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12)
Synonyms:	5 Nitroorotic Acid
Definition date:	2010-04-12
Last modified:	2020-06-17
Identifier:	5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

EL3

EL3
Name:	(3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene
Formula:	C15 H24
SMILES:	C3(=C1CCC(C12CCC(C2)C3(C)C)C)C
InChi:	InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m0/s1
Synonyms:	2,2,3,7R-tetramethyl-1R,8S-tricyclo-[6.2.1.0(4,8)]undec-3-en
Definition date:	2008-09-22
Last modified:	2020-06-17
Identifier:	(3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene

ELB

ELB
Name:	4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide
Formula:	C19 H20 I N5 O2
SMILES:	Nc1cccc2N(C3CCN(CC3)C(=O)Nc4ccc(I)cc4)C(=O)Nc12
InChi:	InChI=1S/C19H20IN5O2/c20-12-4-6-13(7-5-12)22-18(26)24-10-8-14(9-11-24)25-16-3-1-2-15(21)17(16)23-19(25)27/h1-7,14H,8-11,21H2,(H,22,26)(H,23,27)
Synonyms:	TH5675
Definition date:	2018-03-26
Last modified:	2020-06-17
Release date:	2018-11-28
Identifier:	4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide

<830 831 832 833 834 835 836837838 839 840 841 842 843 844 845 >

245011

数据于2025-11-19公开中

PDB statistics

PDBj update info

Contact PDBj

numon