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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	CHEMBL345876
Molecular formula	C33H46N2O4
IUPAC name	(Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[[4-(4-tert-butylpyridin-3-yl)phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight	534.741
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.6
Synonyms	BDBM50391312
Inchi Key	GQISCPGEZUUCRE-STHJYCLQSA-N
Inchi ID	InChI=1S/C33H46N2O4/c1-33(2,3)28-18-19-34-23-27(28)26-14-12-25(13-15-26)24-39-30-17-16-29(35-20-8-4-5-9-21-35)32(30)38-22-10-6-7-11-31(36)37/h6,10,12-15,18-19,23,29-30,32H,4-5,7-9,11,16-17,20-22,24H2,1-3H3,(H,36,37)/b10-6-/t29-,30+,32+/m0/s1
PubChem CID	15024090
ChEMBL	CHEMBL345876
IUPHAR	N/A
BindingDB	50391312
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	3.16 nM	N/A	BindingDB
Kd	3.162 nM	Bioorg. Med. Chem. Lett., (1991) 1:12:695	ChEMBL

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