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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

NameCHEMBL17673
Molecular formulaC18H16ClFN2O2S
IUPAC name4-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]sulfanylbutanoic acid
Molecular weight378.846
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.5
Synonyms4-[[1-(4-Chlorobenzyl)-5-fluoro-1H-benzimidazol-2-yl]thio]butyric acid
SCHEMBL9683250
Inchi KeyAVLQKFAGRWDANO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16ClFN2O2S/c19-13-5-3-12(4-6-13)11-22-16-8-7-14(20)10-15(16)21-18(22)25-9-1-2-17(23)24/h3-8,10H,1-2,9,11H2,(H,23,24)
PubChem CID14953068
ChEMBLCHEMBL17673
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition8.0 %PMID8487256ChEMBL
Inhibition93.0 %PMID8487256ChEMBL

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