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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	VAPIPROST
Molecular formula	C30H39NO4
IUPAC name	(Z)-7-[(1R,2R,3S,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid
Molecular weight	477.645
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.8
Synonyms	GR-32191B (Z)-7-[(1R,2R,3S,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid BDBM50283049 CHEMBL65030 H84XT1COAU Vapiprostum [Latin] 4-Heptenoic acid, 7-(5-((1,1'-biphenyl)-4-ylmethoxy)-3-hydroxy-2-(1-piperidinyl)cyclopentyl)-, (1R-(1alpha(Z),2beta,3beta,5alpha))- GR 32191 SN-309 AC1OCEXR GR32191 Vapiprost [INN:BAN] (Z)-7-[(1R,2R,3S,5S)-5-(Biphenyl-4-ylmethoxy)-3-hydroxy-2-piperidin-1-yl-cyclopentyl]-hept-4-enoic acid BRD-K02283807-003-01-4 D03ZVW NCGC00025325-02 ZINC13719916 GR-32191 UNII-H84XT1COAU AKOS027378112 GTPL1976 Vapiprostum DTXSID6048256 SCHEMBL28550 85505-64-2 [ Show all ]
Inchi Key	GQGRDYWMOPRROR-XUSMOFMBSA-N
Inchi ID	InChI=1S/C30H39NO4/c32-27-21-28(35-22-23-15-17-25(18-16-23)24-11-5-3-6-12-24)26(13-7-1-2-8-14-29(33)34)30(27)31-19-9-4-10-20-31/h1-3,5-6,11-12,15-18,26-28,30,32H,4,7-10,13-14,19-22H2,(H,33,34)/b2-1-/t26-,27-,28-,30+/m0/s1
PubChem CID	6918030
ChEMBL	CHEMBL65030
IUPHAR	1976
BindingDB	50283049
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	12.0 nM	, Bioorg. Med. Chem. Lett., (1994) 4:17:2067	BindingDB,ChEMBL
Ki	0.398108 - 5.01187 nM	PMID8242228, PMID2527074	IUPHAR
Ki	7.8 nM	PMID8935801	BindingDB

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