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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

NameCHEMBL198721
Molecular formulaC29H32N2O
IUPAC name5-(4-benzyl-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile
Molecular weight424.588
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50027207
5-(4-Benzyl-4-hydroxy-piperidin-1-yl)-2,2-diphenyl-pentanenitrile
Inchi KeyJGIWHEIFQXWUGB-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32N2O/c30-24-29(26-13-6-2-7-14-26,27-15-8-3-9-16-27)17-10-20-31-21-18-28(32,19-22-31)23-25-11-4-1-5-12-25/h1-9,11-16,32H,10,17-23H2
PubChem CID11626763
ChEMBLCHEMBL198721
IUPHARN/A
BindingDB50027207
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5063100.0 nMPMID16190772BindingDB,ChEMBL

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