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GPCR

NameThromboxane A2 receptor
SpeciesRattus norvegicus (Rat)
GeneTbxa2r
Synonymprostanoid TP receptor
TP receptor
TXA2-R
TXR2
DiseaseN/A for non-human GPCRs
Length341
Amino acid sequenceMWLNSTSLGACFRPVNITLQERRAIASPWFAASFCALGLGSNLLALSVLAGARPGAGPRSSFLALLCGLVLTDFLGLLVTGAVVASQHAALLDWRATDPGCRLCHFMGAAMVFFGLCPLLLGAAMAAERFVGITRPFSRPAATSRRAWATVGLVWVGAGTLGLLPLLGLGRYSVQYPGSWCFLTLGAERGDVAFGLMFALLGSVSVGLSLLLNTVSVATLCRVYHAREATQRPRDCEVEMMVQLVGIMVVATVCWMPLLVFILQTLLQTLPVMSPSGQLLRTTERQLLIYLRVATWNQILDPWVYILFRRSVLRRLHPRFTSQLQAVSLHSPPTQAMLSGP
UniProtP34978
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3156
IUPHAR346
DrugBankN/A

Ligand

NameCHEMBL161360
Molecular formulaC32H44N2O6S
IUPAC name(Z)-6-[(1R,2S)-2-(azepan-1-yl)-5-[[4-[4-(methylsulfamoylmethyl)phenyl]phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight584.772
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50391276
Inchi KeyIMUPQXOQMCAJLF-KONHRLNYSA-N
Inchi IDInChI=1S/C32H44N2O6S/c1-33-41(37,38)24-26-12-16-28(17-13-26)27-14-10-25(11-15-27)23-40-30-19-18-29(34-20-6-2-3-7-21-34)32(30)39-22-8-4-5-9-31(35)36/h4,8,10-17,29-30,32-33H,2-3,5-7,9,18-24H2,1H3,(H,35,36)/b8-4-/t29-,30?,32+/m0/s1
PubChem CID44374480
ChEMBLCHEMBL161360
IUPHARN/A
BindingDB50391276
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Kd15.85 nM, Bioorg. Med. Chem. Lett., (1991) 1:12:689BindingDB,ChEMBL

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