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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

NameCHEMBL380793
Molecular formulaC23H28N2O
IUPAC name5-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylpentanenitrile
Molecular weight348.49
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50027196
5-(4-Hydroxy-4-methyl-piperidin-1-yl)-2,2-diphenyl-pentanenitrile
Inchi KeyQFIUGKSNPZWDNR-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N2O/c1-22(26)14-17-25(18-15-22)16-8-13-23(19-24,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,26H,8,13-18H2,1H3
PubChem CID11660989
ChEMBLCHEMBL380793
IUPHARN/A
BindingDB50027196
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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