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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	CHEMBL275382
Molecular formula	C20H21BrN2O2
IUPAC name	4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-3,3-dimethylbutanoic acid
Molecular weight	401.304
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.7
Synonyms	BDBM50047079 SCHEMBL9683466 4-[1-(4-Bromo-benzyl)-1H-benzoimidazol-2-yl]-3,3-dimethyl-butyric acid 1-(4-Bromobenzyl)-beta,beta-dimethyl-1H-benzimidazole-2-butanoic acid
Inchi Key	ASDOMWATTDEAHB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21BrN2O2/c1-20(2,12-19(24)25)11-18-22-16-5-3-4-6-17(16)23(18)13-14-7-9-15(21)10-8-14/h3-10H,11-13H2,1-2H3,(H,24,25)
PubChem CID	14953104
ChEMBL	CHEMBL275382
IUPHAR	N/A
BindingDB	50047079
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	86.0 %	PMID8487256	ChEMBL
Inhibition	96.0 %	PMID8487256	ChEMBL
Ki	16.0 nM	PMID8487256	BindingDB,ChEMBL

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