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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	dinoprost
Molecular formula	C20H34O5
IUPAC name	(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular weight	354.487
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	2.7
Synonyms	SR-01000721847-4 D00081 Y0222 Dinoprosta [INN-Spanish] Enzaprost ( )-Prostaglandin F2alpha HMS3648N11 (5Z,9alpha,11alpha,13E,15S)-9,11,15-trihydroxyprosta-5,13-dien-1-oic acid MolPort-005-940-967 PDSP2_000079 62P015 PGF2alpha 9alpha,11beta-PGF2 Prostaglandin F2-alpha BML1-F08 Prostin F 2 alpha CCRIS 4253 Tox21_111777 DB12789 dl-Prostaglandin F2-alpha HMS1361K16 (+-)-PGF2-alpha IDI1_033964 (E,Z)-(1R,2R,3R,5S)-7-(3,5-Dihydroxy-2-((3S)-(3-hydroxy-1-octenyl))cyclopentyl)-5-heptenoic acid NCGC00160385-04 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl)-, (1R-(1alpha(Z),2beta(S*,E),3alpha,5alpha))- PGF2 alpha 9,11,15-Trihydroxy-(5Z,9a,11a,13E,15S)-prosta-5,13-dien-1-oic acid Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, (5Z,9-alpha,11-alpha,13E,15S)-(+-)- (9CI) AKOS030526160 Prostaglandin F2a BSPBio_001494 Protamodin CS-4232 U-14583 Dinoprost [USAN:INN:BAN:JAN] DSSTox_RID_76800 HMS2089F11 (5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dien-1-oic acid LMFA03010002 (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(E)-(3S)-3-hydroxy-1-octenyl}-cyclopentyl]-5-heptenoic acid P1885 PGF2.alpha. 9a,11a-PGF2 Prostaglandin F2 B7IN85G1HY Prostaglandin F2\|A CAS-551-11-1 SR-01000721847 SR-01000946457 D00HTY ZINC3830709 Dinoprostum Enzaprost F (+)-Prostaglandin F2a HSDB 3315 (5Z,9alpha,11alpha,13E,15S)-9,11,15-Trihydroxyprosta-5,13-dienoate NCGC00160385-01 23518-25-4 PGF-2alpha 7-(3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl)-5-heptenoic acid Prosmon (TN) 9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid Prostaglandin F2-alpha, racemic mixt. BRN 2225571 Prostin F2-alpha Cerviprost U 14583 DSSTox_CID_2946 HMS1791K16 (+-)-PGF2alpha l-PGF2-alpha (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxyoct-1-en-1-yl)cyclopentyl)hept-5-enoic acid NCGC00160385-05 5-HEPTENOIC ACID, 7-(3,5-DIHYDROXY-2-(3-HYDROXY-1-OCTENYL)CYCLOPENTYL)-, dl- PGF2-alpha 9,11,15-Trihydroxyprosta-5,13-dien-1-oic acid Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, (5Z,9alpha,11alpha,13E,15S)- amoglandin prostaglandin F2alpha C00639 PXGPLTODNUVGFL-YNNPMVKQSA-N CHEMBL815 cyclosin UNII-B7IN85G1HY Dinoprosta DTXSID9022946 HMS3402K16 (5Z,9alpha,11alpha,13E,15S)-9,11,15-Trihydroxyprosta-3,13-dien-1-oic acid LS-125835 13535-33-6 panacelan 551-11-1 PGF2a 9alpha,11alpha-PGF2 Prostaglandin F2 alpha BDBM50035622 Prostarmon F CCG-208257 SR-01000721847-2 SR-01000946457-1 Dinoprostum [INN-Latin] GTPL1884 (+)-Prostaglandin F2alpha HY-12956 (5z,9alpha,11alpha,13e,15s)-9,11,15-trihydroxyprosta-5,13-dienoic acid NCGC00160385-02 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl)-, (+-)- PGF2 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid Prosta-10,13-dien-1-oic acid, 9,11,15-trihydroxy-, (5Z,9.alpha.,11.alpha.,13E,15S) AC1NQWY5 Prostaglandin F2.alpha. BRN 4153898 Prostin F2alpha CHEBI:15553 CP0104 U-14,583 Dinoprost (JP17/USAN/INN) DSSTox_GSID_22946 HMS1989K16 (5Z,13E)-(15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-dienoate l-Prostaglandin F2-alpha (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid NCGC00160385-06 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl)-, l- PGF2-alpha racemic mixt. 99437-94-2 Prostaglandin F(sub 2a) AN-796 Prostaglandin F2alpha, dl- C20H34O5 SCHEMBL24292 [ Show all ]
Inchi Key	PXGPLTODNUVGFL-YNNPMVKQSA-N
Inchi ID	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
PubChem CID	5280363
ChEMBL	CHEMBL815
IUPHAR	1884
BindingDB	50035622
DrugBank	DB12789
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	1400.0 nM	PMID10915040	BindingDB,ChEMBL
IC50	<0.001 nM	PMID11708917	BindingDB,ChEMBL
IC50	<10000.0 nM	PMID10715159	BindingDB,ChEMBL
Ki	7943.28 nM	PMID10634944	IUPHAR

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