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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	16-phenoxy tetranor Prostaglandin F2alpha
Molecular formula	C22H30O6
IUPAC name	(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular weight	390.476
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	2.1
Synonyms	9.alpha.,11.alpha.,15R-Trihydroxy-16-phenoxy-17,18,19,20-tetranor-prosta-5Z,13E-dien-1-oic acid PGF2Alpha,16-Phenoxy 5-Heptenoic acid, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl)cyclopentyl)-, (5Z)- SR-01000946502-1 1257AH 5I3HIL901K HMS3648H04 16-Phenoxy-17,18,19,20-tetranorprostaglandin F2alpha AC1NSK9T SCHEMBL3368364 (+)-16-Phenoxy-17,18,19,20-tetranorprostaglandin F2alpha CHEMBL334398 UNII-5I3HIL901K 16-phenoxy tetranor Prostaglandin F2.alpha. 7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenoxy-but-1-enyl)-cyclopentyl]-hept-5-enoic acid MolPort-027-640-947 16-Phenoxy-Omega-Tetranor PGF-2alpha BDBM50106547 SR-01000946502 (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoic acid 51705-19-2 FAPQZCFUFGJPFI-UEAHRUCRSA-N ZINC13470222 [ Show all ]
Inchi Key	FAPQZCFUFGJPFI-UEAHRUCRSA-N
Inchi ID	InChI=1S/C22H30O6/c23-16(15-28-17-8-4-3-5-9-17)12-13-19-18(20(24)14-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,16,18-21,23-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,20+,21-/m1/s1
PubChem CID	5311234
ChEMBL	CHEMBL334398
IUPHAR	N/A
BindingDB	50106547
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	510.0 nM	PMID11708917	BindingDB,ChEMBL

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