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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	UNII-U73BV4MML7
Molecular formula	C22H19ClNNaO3
IUPAC name	sodium;6-[2-[5-chloro-2-(2-methylpropoxy)phenyl]phenyl]pyridine-2-carboxylate
Molecular weight	403.838
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	None
Synonyms	GSK345931A 2-Pyridinecarboxylic acid, 6-(5'-chloro-2'-(2-methylpropoxy)(1,1'-biphenyl)-2-yl)-, sodium salt (1:1) Sodium 6-{5'-chloro-2'-[(2-methylpropyl)oxy]-2-biphenylyl}-2-pyridinecarboxylate CHEMBL467510 HCPQFFJXXAUWBN-UHFFFAOYSA-M 869499-38-7 U73BV4MML7 GSK-345931A 2-Pyridinecarboxylic acid, 6-(5'-chloro-2'-(2-methylpropoxy)(1,1'-biphenyl)-2-yl)-, sodium salt SCHEMBL5155300 [ Show all ]
Inchi Key	HCPQFFJXXAUWBN-UHFFFAOYSA-M
Inchi ID	InChI=1S/C22H20ClNO3.Na/c1-14(2)13-27-21-11-10-15(23)12-18(21)16-6-3-4-7-17(16)19-8-5-9-20(24-19)22(25)26;/h3-12,14H,13H2,1-2H3,(H,25,26);/q;+1/p-1
PubChem CID	23686961
ChEMBL	CHEMBL467510
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1584.89 nM	PMID19036582	ChEMBL
Ki	316.23 nM	PMID19036582	ChEMBL

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