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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	SQ-29548
Molecular formula	C21H29N3O4
IUPAC name	(Z)-7-[(1R,2R,3R,4S)-3-[[2-(phenylcarbamoyl)hydrazinyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Molecular weight	387.48
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	0.3
Synonyms	[3H]-SQ29548 98672-91-4 [3H]SQ29548 GTPL1980 SQ-28053 7-(3-((2-((Phenylamino)carbonyl)hydrazino)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-5-heptenoic acid [3H]SQ-28053 (Z)-7-[(1R,4S,5R,6R)-5-[(2-(phenylcarbamoyl)hydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid D02IBM 5-Heptenoic acid, 7-((1R,2R,3R,4S)-3-((2-((phenylamino)carbonyl)hydrazino)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-, (5Z)-rel- GTPL1985 98299-61-7 [3H]SQ-29548 D05RAV SQ 28053 5-Heptenoic acid, 7-(3-((2-((phenylamino)carbonyl)hydrazino)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-, (1alpha,2beta(Z),3beta,4alpha)-(+-)- [ Show all ]
Inchi Key	RJNDVCNWVBWHLY-OQMICVBCSA-N
Inchi ID	InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18-,19+/m1/s1
PubChem CID	6437074
ChEMBL	N/A
IUPHAR	1985, 1980
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	6.3 - 40.0 nM	PMID16604093, PMID10634944	IUPHAR
Ki	0.794328 - 7.94328 nM	PMID16604093, PMID10634944, PMID2975605	IUPHAR

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