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GPCR

NameThromboxane A2 receptor
SpeciesHomo sapiens (Human)
GeneTBXA2R
SynonymTP receptor
TXA2-R
prostanoid TP receptor
DiseaseDiabetic neuropathy
Cardiovascular disorder
Erectile dysfunction
Perennial allergic rhinitis
Peripheral vascular disease
[ Show all ]
Length343
Amino acid sequenceMWPNGSSLGPCFRPTNITLEERRLIASPWFAASFCVVGLASNLLALSVLAGARQGGSHTRSSFLTFLCGLVLTDFLGLLVTGTIVVSQHAALFEWHAVDPGCRLCRFMGVVMIFFGLSPLLLGAAMASERYLGITRPFSRPAVASQRRAWATVGLVWAAALALGLLPLLGVGRYTVQYPGSWCFLTLGAESGDVAFGLLFSMLGGLSVGLSFLLNTVSVATLCHVYHGQEAAQQRPRDSEVEMMAQLLGIMVVASVCWLPLLVFIAQTVLRNPPAMSPAGQLSRTTEKELLIYLRVATWNQILDPWVYILFRRAVLRRLQPRLSTRPRSLSLQPQLTQRSGLQ
UniProtP21731
Protein Data Bank6iiv, 6iiu
GPCR-HGmod modelP21731
3D structure modelThis structure is from PDB ID 6iiv.
BioLiPBL0436518, BL0436517, BL0436516, BL0436515, BL0436514, BL0436513
Therapeutic Target DatabaseT76198
ChEMBLCHEMBL2069
IUPHAR346
DrugBankBE0000759

Ligand

NameCHEMBL122008
Molecular formulaC23H24FN3O3
IUPAC name5-[(Z)-[3-(4-fluorophenyl)-2-imidazol-1-yl-1-phenylpropylidene]amino]oxypentanoic acid
Molecular weight409.461
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.4
Synonyms5-[3-(4-Fluoro-phenyl)-2-imidazol-1-yl-1-phenyl-prop-(Z)-ylideneaminooxy]-pentanoic acid
AFEOYNXQWALUNY-WNAAXNPUSA-N
5-[[[(E)-1-Phenyl-2-(1H-imidazol-1-yl)-3-(4-fluorophenyl)propylidene]amino]oxy]pentanoic acid
BDBM50037751
(+/-) (E)-5-[1-phenyl-2-(imidazol-1-yl)-2-(4-fluorobenzyl)ethylidene] aminoxypentanoic acid
[ Show all ]
Inchi KeyAFEOYNXQWALUNY-RWEWTDSWSA-N
Inchi IDInChI=1S/C23H24FN3O3/c24-20-11-9-18(10-12-20)16-21(27-14-13-25-17-27)23(19-6-2-1-3-7-19)26-30-15-5-4-8-22(28)29/h1-3,6-7,9-14,17,21H,4-5,8,15-16H2,(H,28,29)/b26-23-
PubChem CID9931330
ChEMBLCHEMBL122008
IUPHARN/A
BindingDB50037751
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50530.0 nMPMID7932586BindingDB,ChEMBL

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