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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	RIDOGREL
Molecular formula	C18H17F3N2O3
IUPAC name	5-[(E)-[pyridin-3-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid
Molecular weight	366.34
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.9
Synonyms	Ibidel Ridogrel [USAN:INN:BAN] 5-[Pyridin-3-yl-(3-trifluoromethyl-phenyl)-methyleneaminooxy]-pentanoic acid CHEBI:135542 QTS5QOO42O SCHEMBL11709 (E)-5-(((alpha-3-Pyridyl-m-(trifluoromethyl)benzylidene)amino)oxy)valeric acid D05727 DB01207 5-[(E)-[pyridin-3-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid AKOS015951347 L001350 Ridogrelum 5-[[pyridin-3-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid D0E3BH R 68070 UNII-QTS5QOO42O (E)-5-(pyridin-3-yl(3-(trifluoromethyl)phenyl)methyleneaminooxy)pentanoic acid AB1009210 DTXSID90872935 Ridogrel (USAN/INN) 5-[1-Pyridin-3-yl-1-(3-trifluoromethyl-phenyl)-meth-(E)-ylideneaminooxy]-pentanoic acid BDBM50003795 Pentanoic acid, 5-(((3-pyridinyl(3-(trifluoromethyl)phenyl)methylene)amino)oxy)-, (E)- Ridogrelum [INN-Latin] 5-{[(E)-{pyridin-3-yl[3-(trifluoromethyl)phenyl]methylidene}amino]oxy}pentanoic acid CHEMBL280728 R-68070 110140-89-1 AC1NSFY9 [ Show all ]
Inchi Key	GLLPUTYLZIKEGF-HAVVHWLPSA-N
Inchi ID	InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+
PubChem CID	5362391
ChEMBL	CHEMBL280728
IUPHAR	N/A
BindingDB	50003795
DrugBank	DB01207
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	1280.0 nM	, Bioorg. Med. Chem. Lett., (1994) 4:17:2073	BindingDB,ChEMBL
IC50	1700.0 nM	PMID8831771, PMID10197967, PMID8289199	BindingDB,ChEMBL
IC50	2100.0 nM	PMID7932586	BindingDB,ChEMBL
IC50	5200.0 nM	PMID8289199	BindingDB,ChEMBL
Kd	446.68 nM	Bioorg. Med. Chem. Lett., (1994) 4:17:2073	ChEMBL
Kd	3981.07 nM	Bioorg. Med. Chem. Lett., (1991) 1:12:695, , Bioorg. Med. Chem. Lett., (1991) 1:12:699	BindingDB,ChEMBL
Kd	8000.0 nM	PMID9876106	BindingDB,ChEMBL

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