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GPCR

NameG-protein coupled receptor homolog US28
SpeciesHuman cytomegalovirus (strain AD169) (HHV-5)
GeneUS28
SynonymHHRF3
DiseaseN/A for non-human GPCRs
Length354
Amino acid sequenceMTPTTTTAELTTEFDYDEDATPCVFTDVLNQSKPVTLFLYGVVFLFGSIGNFLVIFTITWRRRIQCSGDVYFINLAAADLLFVCTLPLWMQYLLDHNSLASVPCTLLTACFYVAMFASLCFITEIALDRYYAIVYMRYRPVKQACLFSIFWWIFAVIIAIPHFMVVTKKDNQCMTDYDYLEVSYPIILNVELMLGAFVIPLSVISYCYYRISRIVAVSQSRHKGRIVRVLIAVVLVFIIFWLPYHLTLFVDTLKLLKWISSSCEFERSLKRALILTESLAFCHCCLNPLLYVFVGTKFRQELHCLLAEFRQRLFSRDVSWYHSMSFSRRSSPSRRETSSDTLSDEVCRVSQIIP
UniProtP69332
Protein Data Bank4xt1
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 4xt1.
BioLiPBL0309402,BL0309403
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4259
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL141713
Molecular formulaC29H32N2O2
IUPAC name5-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-2,2-diphenylpentanenitrile
Molecular weight440.587
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.0
Synonyms5-[4-Hydroxy-4-(4-methoxy-phenyl)-piperidin-1-yl]-2,2-diphenyl-pentanenitrile
2,2-Diphenyl-5-[4-hydroxy-4-(4-methoxyphenyl)piperidino]valeronitrile
BDBM50027205
Inchi KeyFFRLOIAKURWWBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32N2O2/c1-33-27-15-13-26(14-16-27)29(32)18-21-31(22-19-29)20-8-17-28(23-30,24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-16,32H,8,17-22H2,1H3
PubChem CID10670785
ChEMBLCHEMBL141713
IUPHARN/A
BindingDB50027205
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5028800.0 nMPMID16190772BindingDB,ChEMBL
IC5072400.0 nMPMID16190772BindingDB,ChEMBL

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