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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

NameCHEMBL161427
Molecular formulaC29H37NO4
IUPAC name(Z)-6-[(1R,2S,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentyl]oxyhex-4-enoic acid
Molecular weight463.618
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50391278
SCHEMBL10555298
Inchi KeyBZYFYLPNTYTHJE-KPZIQFQPSA-N
Inchi IDInChI=1S/C29H37NO4/c31-28(32)12-6-2-9-21-33-29-26(30-19-7-3-8-20-30)17-18-27(29)34-22-23-13-15-25(16-14-23)24-10-4-1-5-11-24/h1-2,4-5,9-11,13-16,26-27,29H,3,6-8,12,17-22H2,(H,31,32)/b9-2-/t26-,27-,29+/m0/s1
PubChem CID13560651
ChEMBLCHEMBL161427
IUPHARN/A
BindingDB50391278
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd31.62 nMBioorg. Med. Chem. Lett., (1991) 1:12:689ChEMBL
Kd50.0 nMN/ABindingDB
Kd50.12 nMBioorg. Med. Chem. Lett., (1991) 1:12:689ChEMBL
Kd794.0 nMN/ABindingDB
Kd794.33 nMN/ABindingDB

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