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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	CHEMBL165010
Molecular formula	C17H16O2S
IUPAC name	(E)-3-[2-[(4-methylsulfanylphenyl)methyl]phenyl]prop-2-enoic acid
Molecular weight	284.373
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.3
Synonyms	SCHEMBL7929816 (E)-3-[2-(4-Methylsulfanyl-benzyl)-phenyl]-acrylic acid BDBM50097794 SCHEMBL7929810 2-[4-(Methylthio)benzyl]benzeneacrylic acid
Inchi Key	GTCWHZLORAMXKL-DHZHZOJOSA-N
Inchi ID	InChI=1S/C17H16O2S/c1-20-16-9-6-13(7-10-16)12-15-5-3-2-4-14(15)8-11-17(18)19/h2-11H,12H2,1H3,(H,18,19)/b11-8+
PubChem CID	9817292
ChEMBL	CHEMBL165010
IUPHAR	N/A
BindingDB	50097794
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	4600.0 nM	PMID11266183	BindingDB,ChEMBL

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