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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	CHEMBL182367
Molecular formula	C25H16ClF6NO2S
IUPAC name	2-[5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridin-3-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Molecular weight	543.908
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	7.1
Synonyms	BDBM50160916 2-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-pyridin-3-yl}-1,1,1,3,3,3-hexafluoro-propan-2-ol
Inchi Key	AJGJMWUDDSWHOG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H16ClF6NO2S/c26-18-6-7-21(35-14-15-4-2-1-3-5-15)20(11-18)19-8-9-36-22(19)16-10-17(13-33-12-16)23(34,24(27,28)29)25(30,31)32/h1-13,34H,14H2
PubChem CID	44392477
ChEMBL	CHEMBL182367
IUPHAR	N/A
BindingDB	50160916
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	200.0 nM	PMID15686932	BindingDB,ChEMBL

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