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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

NameCHEMBL198313
Molecular formulaC28H28Cl2N2O
IUPAC name5-[4-(3,4-dichlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile
Molecular weight479.445
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.3
SynonymsBDBM50027217
5-[4-(3,4-Dichloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentanenitrile
Inchi KeyAEOKEWSIBHLUFL-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28Cl2N2O/c29-25-13-12-24(20-26(25)30)28(33)15-18-32(19-16-28)17-7-14-27(21-31,22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-13,20,33H,7,14-19H2
PubChem CID11634351
ChEMBLCHEMBL198313
IUPHARN/A
BindingDB50027217
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5038000.0 nMPMID16190772BindingDB,ChEMBL

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