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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL274749
Molecular formula	C17H14ClFN2O2
IUPAC name	3-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]propanoic acid
Molecular weight	332.759
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.6
Synonyms	3-[1-(4-Chloro-benzyl)-5-fluoro-1H-benzoimidazol-2-yl]-propionic acid BDBM50047070 3-[1-(4-Chlorobenzyl)-5-fluoro-1H-benzimidazol-2-yl]propionic acid
Inchi Key	AOOOZXBUFXKFSN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H14ClFN2O2/c18-12-3-1-11(2-4-12)10-21-15-6-5-13(19)9-14(15)20-16(21)7-8-17(22)23/h1-6,9H,7-8,10H2,(H,22,23)
PubChem CID	14953076
ChEMBL	CHEMBL274749
IUPHAR	N/A
BindingDB	50047070
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	0.0 %	PMID8487256	ChEMBL
Inhibition	64.0 %	PMID8487256	ChEMBL
Ki	5600.0 nM	PMID8487256	BindingDB,ChEMBL

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