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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Thromboxane A2 receptor
Species	Homo sapiens (Human)
Gene	TBXA2R
Synonym	TP receptor TXA2-R prostanoid TP receptor
Disease	Diabetic neuropathy Cardiovascular disorder Erectile dysfunction Perennial allergic rhinitis Peripheral vascular disease Thromboembolism Thrombosis Unspecified Asthma Angina pectoris Allergic rhinitis Allergic asthma Acute myocardial infarction [ Show all ]
Length	343
Amino acid sequence	MWPNGSSLGPCFRPTNITLEERRLIASPWFAASFCVVGLASNLLALSVLAGARQGGSHTRSSFLTFLCGLVLTDFLGLLVTGTIVVSQHAALFEWHAVDPGCRLCRFMGVVMIFFGLSPLLLGAAMASERYLGITRPFSRPAVASQRRAWATVGLVWAAALALGLLPLLGVGRYTVQYPGSWCFLTLGAESGDVAFGLLFSMLGGLSVGLSFLLNTVSVATLCHVYHGQEAAQQRPRDSEVEMMAQLLGIMVVASVCWLPLLVFIAQTVLRNPPAMSPAGQLSRTTEKELLIYLRVATWNQILDPWVYILFRRAVLRRLQPRLSTRPRSLSLQPQLTQRSGLQ
UniProt	P21731
Protein Data Bank	6iiv, 6iiu
GPCR-HGmod model	P21731
3D structure model	This structure is from PDB ID 6iiv.
BioLiP	BL0436518, BL0436517, BL0436516, BL0436515, BL0436514, BL0436513
Therapeutic Target Database	T76198
ChEMBL	CHEMBL2069
IUPHAR	346
DrugBank	BE0000759

Ligand

Name	CHEMBL114213
Molecular formula	C26H22N2O5
IUPAC name	(11E)-11-[2-(5,6-dimethoxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
Molecular weight	442.471
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.9
Synonyms	BDBM50002808 SCHEMBL9045130 11-[2-(5,6-Dimethoxy-benzoimidazol-1-yl)-ethylidene]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid (E)-11-[2-[5,6-Dimethoxy-1H-benzimidazol-1-yl]ethylidene]-6,11-dihydrodibenz[b,e]oxepin-2-carboxylic acid
Inchi Key	AQHXDXCTRAORGC-DJKKODMXSA-N
Inchi ID	InChI=1S/C26H22N2O5/c1-31-24-12-21-22(13-25(24)32-2)28(15-27-21)10-9-19-18-6-4-3-5-17(18)14-33-23-8-7-16(26(29)30)11-20(19)23/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30)/b19-9+
PubChem CID	11744062
ChEMBL	CHEMBL114213
IUPHAR	N/A
BindingDB	50002808
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3.4 nM	PMID1388208	BindingDB,ChEMBL

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