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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

NameCHEMBL2110359
Molecular formulaC31H41NO5
IUPAC name(Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[[4-[2-(hydroxymethyl)phenyl]phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight507.671
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.1
SynonymsBDBM50391297
GR-70067
SCHEMBL9775014
Inchi KeyKCLYPNKWGQYJSE-JCOFVJCZSA-N
Inchi IDInChI=1S/C31H41NO5/c33-22-26-10-5-6-11-27(26)25-15-13-24(14-16-25)23-37-29-18-17-28(32-19-7-1-2-8-20-32)31(29)36-21-9-3-4-12-30(34)35/h3,5-6,9-11,13-16,28-29,31,33H,1-2,4,7-8,12,17-23H2,(H,34,35)/b9-3-/t28-,29+,31+/m0/s1
PubChem CID14371756
ChEMBLCHEMBL2110359
IUPHARN/A
BindingDB50391297
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
pKb8.5 -Bioorg. Med. Chem. Lett., (1991) 1:12:689ChEMBL

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