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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	UNII-B5J9G2N18M
Molecular formula	C22H38O5
IUPAC name	(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular weight	382.541
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	3.6
Synonyms	16,16-Dimethyl PGF2 alpha 7-[(1R,2R,4S,5R)-3,5-Dihydroxy-2-((E)-(R)-3-hydroxy-4,4-dimethyl-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid MolPort-027-640-946 16,16-Dimethyl-pgf2alpha B5J9G2N18M SR-01000946501-1 (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid 39746-23-1 CHEMBL40183 ZINC29323758 16,16-dimethyl PGF2alpha 9.alpha.,11.alpha.,15R-Trihydroxy-16,16-dimethyl-prosta-5Z,13E-dien-1-oic acid SCHEMBL3366405 (5Z,9alpha,11alpha,13E,15S)-9,11,15-Trihydroxy-16,16-dimethylprosta-5,13-dien-1-oic acid 16,16-Dimethylprostaglandin F2.alpha. BDBM50090136 1253AH HMS3648F22 16,16-Dimethyl prostaglandin F2alpha AC1O5VMB SR-01000946501 (Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(R)-3-hydroxy-4,4-dimethyl-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid 16,16-Dimethylprostaglandin F2alpha YMRWVEHSLXJOCD-SCOYTADVSA-N [ Show all ]
Inchi Key	YMRWVEHSLXJOCD-SCOYTADVSA-N
Inchi ID	InChI=1S/C22H38O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-20,23-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,18+,19-,20-/m1/s1
PubChem CID	6441607
ChEMBL	CHEMBL40183
IUPHAR	N/A
BindingDB	50090136
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	24.0 nM	PMID10915040	BindingDB,ChEMBL

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