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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	CHEMBL39784
Molecular formula	C24H35F3O5
IUPAC name	7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pentyl]cyclopentyl]heptanoic acid
Molecular weight	460.534
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	4.8
Synonyms	17-trifluoromethylphenyl-13,14-dihydro trinor Prostaglandin F1.alpha. DSVAWVBHUBDAPY-AHJNKEMKSA-N 7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(R)-3-hydroxy-5-(3-trifluoromethyl-phenyl)-pentyl]-cyclopentyl}-heptanoic acid SR-01000946455 HMS3648N07 9.alpha.,11.alpha.,15S-Trihydroxy-17-trifluoromethylphenyl-18,19,20-trinor-prostan-1-oic acid SR-01000946455-1 7-[(1R)-2beta-[(3R)-3-Hydroxy-5-[3-(trifluoromethyl)phenyl]pentyl]-3alpha,5alpha-dihydroxycyclopentane-1alpha-yl]heptanoic acid MolPort-027-640-905 BDBM50090140 ZINC29327528 [ Show all ]
Inchi Key	DSVAWVBHUBDAPY-AHJNKEMKSA-N
Inchi ID	InChI=1S/C24H35F3O5/c25-24(26,27)17-7-5-6-16(14-17)10-11-18(28)12-13-20-19(21(29)15-22(20)30)8-3-1-2-4-9-23(31)32/h5-7,14,18-22,28-30H,1-4,8-13,15H2,(H,31,32)/t18-,19+,20+,21-,22+/m0/s1
PubChem CID	10389527
ChEMBL	CHEMBL39784
IUPHAR	N/A
BindingDB	50090140
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	<20000.0 nM	PMID10915040	BindingDB,ChEMBL
IC50	<10000.0 nM	PMID10915040	BindingDB,ChEMBL

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