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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

NamePipamperone
Molecular formulaC21H30FN3O2
IUPAC name1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide
Molecular weight375.488
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.0
SynonymsL000727
p-Fluoro-.gamma.-(4-piperidino-4-carbamoylpiperidino)butyrophenone
Pipamperona [INN-Spanish]
(1,4'-Bipiperidine)-4'-carboxamide, 1'-(4-(4-fluorophenyl)-4-oxobutyl)-
Pipamperonum [INN-Latin]
[ Show all ]
Inchi KeyAXKPFOAXAHJUAG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)
PubChem CID4830
ChEMBLN/A
IUPHAR92
BindingDB81483
DrugBankDB09286

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1000.0 nMPMID8935801PDSP,BindingDB

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