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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	CHEMBL245261
Molecular formula	C18H21N3O7S
IUPAC name	1-tert-butyl-3-[2-(3-methoxyphenoxy)-5-nitrophenyl]sulfonylurea
Molecular weight	423.44
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.8
Synonyms	ZINC27646921 SCHEMBL16375985 SCHEMBL17437693 BDBM50218128 N-tert-butyl-N''-[2-(3-methoxyphenoxy)-5-nitrobenzenesulfonyl]urea
Inchi Key	AHBPOHBDSHUMKH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21N3O7S/c1-18(2,3)19-17(22)20-29(25,26)16-10-12(21(23)24)8-9-15(16)28-14-7-5-6-13(11-14)27-4/h5-11H,1-4H3,(H2,19,20,22)
PubChem CID	16755884
ChEMBL	CHEMBL245261
IUPHAR	N/A
BindingDB	50218128
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	99.0 nM	PMID17630727	BindingDB,ChEMBL
IC50	1970.0 nM	PMID17630727	BindingDB,ChEMBL
Ratio IC50	19.9 -	PMID17630727	ChEMBL

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