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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

NameCHEMBL345876
Molecular formulaC33H46N2O4
IUPAC name(Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[[4-(4-tert-butylpyridin-3-yl)phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight534.741
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50391312
Inchi KeyGQISCPGEZUUCRE-STHJYCLQSA-N
Inchi IDInChI=1S/C33H46N2O4/c1-33(2,3)28-18-19-34-23-27(28)26-14-12-25(13-15-26)24-39-30-17-16-29(35-20-8-4-5-9-21-35)32(30)38-22-10-6-7-11-31(36)37/h6,10,12-15,18-19,23,29-30,32H,4-5,7-9,11,16-17,20-22,24H2,1-3H3,(H,36,37)/b10-6-/t29-,30+,32+/m0/s1
PubChem CID15024090
ChEMBLCHEMBL345876
IUPHARN/A
BindingDB50391312
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd3.16 nMN/ABindingDB
Kd3.162 nMBioorg. Med. Chem. Lett., (1991) 1:12:695ChEMBL

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