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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

NameCHEMBL3896035
Molecular formulaC27H36F4N4O5S
IUPAC name2-[(2S)-1-[[5-fluoro-2-[3-oxo-3-(trifluoromethylsulfonylamino)propyl]phenyl]methyl]pyrrolidin-2-yl]-N-octyl-1,3-oxazole-4-carboxamide
Molecular weight604.662
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP5.6
SynonymsUS9422273, 12e
BDBM240747
SCHEMBL13556939
Inchi KeyBFFVYRGBDKURRE-QHCPKHFHSA-N
Inchi IDInChI=1S/C27H36F4N4O5S/c1-2-3-4-5-6-7-14-32-25(37)22-18-40-26(33-22)23-9-8-15-35(23)17-20-16-21(28)12-10-19(20)11-13-24(36)34-41(38,39)27(29,30)31/h10,12,16,18,23H,2-9,11,13-15,17H2,1H3,(H,32,37)(H,34,36)/t23-/m0/s1
PubChem CID56839536
ChEMBLCHEMBL3896035
IUPHARN/A
BindingDB240747
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC50<1.0 nM, NoneBindingDB,ChEMBL

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