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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	CHEMBL1643784
Molecular formula	C21H19F3N2O4S
IUPAC name	2-[(7R)-2,4-difluoro-7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
Molecular weight	452.448
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.0
Synonyms	(R)-2-(2,4-difluoro-7-(4-fluoro-N-methylphenylsulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid BDBM50333845
Inchi Key	BPDFPUCEDRYHJW-CQSZACIVSA-N
Inchi ID	InChI=1S/C21H19F3N2O4S/c1-25(31(29,30)15-5-2-12(22)3-6-15)14-4-7-19-16(10-20(27)28)17-8-13(23)9-18(24)21(17)26(19)11-14/h2-3,5-6,8-9,14H,4,7,10-11H2,1H3,(H,27,28)/t14-/m1/s1
PubChem CID	53323266
ChEMBL	CHEMBL1643784
IUPHAR	N/A
BindingDB	50333845
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	427.0 nM	PMID21106375	BindingDB,ChEMBL

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