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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

NameCHEMBL103561
Molecular formulaC28H31N5O
IUPAC name2-[4-[2-(1,1-diphenylethylamino)acetyl]piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile
Molecular weight453.59
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50045997
SCHEMBL9575072
{4-[2-(1,1-Diphenyl-ethylamino)-acetyl]-piperazin-1-yl}-(2-methyl-pyridin-3-yl)-acetonitrile
Inchi KeyBSMSADGDBGATQD-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31N5O/c1-22-25(14-9-15-30-22)26(20-29)32-16-18-33(19-17-32)27(34)21-31-28(2,23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-15,26,31H,16-19,21H2,1-2H3
PubChem CID10095446
ChEMBLCHEMBL103561
IUPHARN/A
BindingDB50045997
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5086.0 nMPMID8411016BindingDB,ChEMBL

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