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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	fluprostenol
Molecular formula	C23H29F3O6
IUPAC name	(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular weight	458.474
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	2.9
Synonyms	1771AH AC1NSJZQ CAS-40666-16-8 DSSTox_RID_81358 Fluprostenolum [INN-Latin] ICI 81,008 NCGC00160386-04 travoprost free acid [1R-[1\|A(Z),2\|A(1E,3R*),3\|A,5\|A]]-7-[3,5-Dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-5-heptenoic Acid (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-5-heptenoic Acid (Z)-7-[(1alpha)-3alpha,5alpha-Dihydroxy-2beta-[(3R,1E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-5-heptenoic acid 40666-16-8 AL-5848 CHEMBL1201379 HMS1361C18 MEH3MCE8X1 SCHEMBL230607 Travoprost related compound A [USP] (+)-fluprostenol 16-(m-Trifluoromethylphenoxy)-17,18,19,20-tetranorprostaglandin F2alpha 54276-17-4 BRD-K31611373-001-02-7 DSSTox_CID_26122 Fluprostenol, (+)- HMS3402C18 NCGC00160386-01 Tox21_111778 WWSWYXNVCBLWNZ-QIZQQNKQSA-N (5Z)-7-((1R,2R,3R,5S)-2-((R,E)-4-(3-(trifluoromethyl)phenoxy)-3-hydroxybut-1-enyl)-3,5-dihydroxycyclopentyl)hept-5-enoic acid (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl]cyclopentyl]hept-5-enoic acid AKOS024458212 CHEBI:60782 DTXSID7046122 GTPL1940 ICI 81008 NCGC00160386-05 Travoprost related compound A A [3H](+)-fluprostenol (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid 5-Heptenoic acid, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3R)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-buten-1-yl)cyclopentyl)-, (5Z)- BDBM50206025 D05TNX Fluprostenol 10 mg/mL in ethanol HMS1791C18 MFCD03427566 SR-01000946504 UNII-358S7VUE5N component WWSWYXNVCBLWNZ-QIZQQNKQSA-N (+/-)-16-(3-Trifluoromethylphenoxy)tetranorprostaglandin F2alpha 16-(m-Trifluoromethylphenoxy)-17,18,19,20-tetranorprostaglandin F2\|A 55028-71-2 (mono-hydrochloride salt) BSPBio_001336 DSSTox_GSID_46122 Fluprostenolum HMS3648H08 NCGC00160386-02 travoprost acid ZINC4474587 (5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-5-heptenoic acid (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)cyclopentyl)hept-5-enoic acid 276F174 AL 5848 EINECS 255-029-3 GTPL3417 IDI1_033806 rac-(5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl}cyclopentyl]hept-5-enoic acid Travoprost related compound A RS [USP] [3H]-(+)-fluprostenol 1007AH BML2-G08 D08TWE Fluprostenol [INN:BAN] HMS1989C18 MolPort-006-128-349 SR-01000946504-1 UNII-MEH3MCE8X1 (5Z ,13E )-(9S,11R,15R )-9,11,15-Trihydroxy-16-(m-trifluoromethylphenoxy)-17,18,19,20-tetranor-5,13-prostadienoic acid [ Show all ]
Inchi Key	WWSWYXNVCBLWNZ-QIZQQNKQSA-N
Inchi ID	InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
PubChem CID	5311100
ChEMBL	CHEMBL1201379
IUPHAR	1940
BindingDB	50206025
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	50118.7 nM	PMID10634944	IUPHAR

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