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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

NameCHEMBL197978
Molecular formulaC22H26N2O
IUPAC name5-(4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile
Molecular weight334.463
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50027211
SCHEMBL9103936
5-(4-Hydroxy-piperidin-1-yl)-2,2-diphenyl-pentanenitrile
Inchi KeyHWKKKOJCVGWIOS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N2O/c23-18-22(19-8-3-1-4-9-19,20-10-5-2-6-11-20)14-7-15-24-16-12-21(25)13-17-24/h1-6,8-11,21,25H,7,12-17H2
PubChem CID10496963
ChEMBLCHEMBL197978
IUPHARN/A
BindingDB50027211
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<100000.0 nMPMID16190772BindingDB,ChEMBL
IC50<100000.0 nMPMID16190772BindingDB,ChEMBL

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