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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	CHEMBL379736
Molecular formula	C19H30N4O5S
IUPAC name	1-[2-(cyclohexylamino)-5-nitrophenyl]sulfonyl-3-hexylurea
Molecular weight	426.532
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	5.0
Synonyms	N-n-hexyl-N''-[2-(cyclohexylamino)-5-nitrobenzenesulfonyl]urea BDBM50188620
Inchi Key	ACMVNXRJVDQYIR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H30N4O5S/c1-2-3-4-8-13-20-19(24)22-29(27,28)18-14-16(23(25)26)11-12-17(18)21-15-9-6-5-7-10-15/h11-12,14-15,21H,2-10,13H2,1H3,(H2,20,22,24)
PubChem CID	11604299
ChEMBL	CHEMBL379736
IUPHAR	N/A
BindingDB	50188620
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	42.5 %	PMID16759113	ChEMBL
Activity	44.2 %	PMID16759113	ChEMBL
IC50	0.71 nM	PMID16759113	BindingDB,ChEMBL
IC50	1.07 nM	PMID16759113	BindingDB,ChEMBL
IC50	46.17 nM	PMID16759113	BindingDB,ChEMBL
IC50	81.22 nM	PMID16759113	BindingDB,ChEMBL
Ratio IC50	0.67 -	PMID16759113	ChEMBL
Ratio IC50	1.76 -	PMID16759113	ChEMBL

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