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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

NameCHEMBL422115
Molecular formulaC26H34N2O
IUPAC name5-(4-butyl-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile
Molecular weight390.571
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.3
Synonyms2,2-Diphenyl-5-(4-hydroxy-4-butylpiperidino)valeronitrile
BDBM50027203
SCHEMBL9105073
5-(4-Butyl-4-hydroxy-piperidin-1-yl)-2,2-diphenyl-pentanenitrile
Inchi KeyXQJJPORTUWZGIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N2O/c1-2-3-15-25(29)17-20-28(21-18-25)19-10-16-26(22-27,23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-9,11-14,29H,2-3,10,15-21H2,1H3
PubChem CID10524463
ChEMBLCHEMBL422115
IUPHARN/A
BindingDB50027203
DrugBankN/A

Structure

SDF download

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

Experimental Data

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

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