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GLASS

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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	cloprostenol
Molecular formula	C22H29ClO6
IUPAC name	(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Molecular weight	424.918
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	2.7
Synonyms	SCHEMBL123595 (+-)-(Z)-7-((1R,2R,3R,5S)-2-((E)-(3R)-4-(3-Chlorophenoxy-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-5-heptensaeure 16-(m-Chlorophenoxy)-17,18,19,20-tetranorprostaglandin F2alpha 5-Heptenoic acid, 7-(2-(4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, (1-alpha-(Z),2-beta-(1E,3R),3-alpha,5-alpha)- (+-)- AC-24773 BRD-K17850764-236-08-5 Cloprostenol, (+)- DTXSID7048372 HMS1791O21 NCGC00161343-01 UNII-4208238832 component VJGGHXVGBSZVMZ-QIZQQNKQSA-N (Z)-7-((1R,2R,3R,5S)-2-((R,E)-4-(3-Chlorophenoxy)-3-hydroxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoic acid 276C210 53529-41-2 AKOS015964975 CS-7779 Estrophan HMS3648H06 Oestrophan R-Cloprostenol ZINC4536236 (Z)-7-{(1R,2R,3R,5S)-2-[(E)-(R)-4-(3-Chloro-phenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid 5-Heptenoic acid, 7-((1R,2R,3R,5S)-2-((1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, (5Z)- 7-{2-[4-(3-Chloro-phenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid BRD-K17850764-001-02-6 Dalmaprost D Estrumate IDI1_034049 SR-01000946503 (+-)-Cloprostenol AC-6104 BSPBio_001579 Cloprostenolum EINECS 255-028-8 HMS1989O21 NCGC00161343-02 UNII-52EJR3Y9IN (Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid 40665-92-7 54276-21-0 AN-10393 CHEMBL37853 D-Cloprostenol Estrophane HY-107381 Oestrophane Racemic cloprostenol (+)-Cloprostenol 100786-10-5 5-Heptenoic acid, 7-((1R,2R,3R,5S)-2-((1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, (5Z)-rel- 87347-50-0 BRD-K17850764-236-03-6 Cloprostenol [INN:BAN] Dalmazin GTPL1894 MolPort-005-940-400 SR-01000946503-1 (5Z)-rel-7-[(1R,2R,3R,5S)-2-[(1E,3S)-4-(3-Chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-5-heptenoic Acid 206555-98-8 52EJR3Y9IN AC1NSJWQ C22H29ClO6 Cloprostenolum [INN-Latin] Estrofan HMS3402O21 NCGC00161343-03 Planate X2624 (Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid 5-Heptenoic acid, 7-((1R,2R,3R,5S)-2-((1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl)-, (5Z)- 55028-72-3 (mono-hydrochloride salt) BDBM50085910 Ciosin D0O9ES Estrumat ICI 80996 [ Show all ]
Inchi Key	VJGGHXVGBSZVMZ-QIZQQNKQSA-N
Inchi ID	InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
PubChem CID	5311053
ChEMBL	CHEMBL37853
IUPHAR	1894
BindingDB	50085910
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	2400.0 nM	PMID10915040	BindingDB,ChEMBL
IC50	<10000.0 nM	PMID10715159	BindingDB,ChEMBL
Ki	6309.57 nM	PMID10634944	IUPHAR

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