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GPCR

NamePlatelet-activating factor receptor
SpeciesCavia porcellus (Guinea pig)
GenePTAFR
SynonymPAF-R
PAFr
DiseaseN/A for non-human GPCRs
Length342
Amino acid sequenceMELNSSSRVDSEFRYTLFPIVYSIIFVLGIIANGYVLWVFARLYPSKKLNEIKIFMVNLTVADLLFLITLPLWIVYYSNQGNWFLPKFLCNLAGCLFFINTYCSVAFLGVITYNRFQAVKYPIKTAQATTRKRGIALSLVIWVAIVAAASYFLVMDSTNVVSNKAGSGNITRCFEHYEKGSKPVLIIHICIVLGFFIVFLLILFCNLVIIHTLLRQPVKQQRNAEVRRRALWMVCTVLAVFVICFVPHHMVQLPWTLAELGMWPSSNHQAINDAHQVTLCLLSTNCVLDPVIYCFLTKKFRKHLSEKLNIMRSSQKCSRVTTDTGTEMAIPINHTPVNPIKN
UniProtP21556
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5136
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL133921
Molecular formulaC26H26N4O
IUPAC name2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile
Molecular weight410.521
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.4
Synonyms2-(3-Pyridinyl)-2-[4-(1-oxo-2,2-diphenylethyl)-1-piperazinyl]propanenitrile
BDBM50003551
SCHEMBL9852934
2-(4-Diphenylacetyl-piperazin-1-yl)-2-pyridin-3-yl-propionitrile; hydrate
Inchi KeyFIVIVGVDQOVQOF-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N4O/c1-26(20-27,23-13-8-14-28-19-23)30-17-15-29(16-18-30)25(31)24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,24H,15-18H2,1H3
PubChem CID10092996
ChEMBLCHEMBL133921
IUPHARN/A
BindingDB50003551
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50240.0 nMPMID1433215BindingDB,ChEMBL

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