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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

NameCHEMBL197342
Molecular formulaC27H28ClN3
IUPAC name5-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile
Molecular weight429.992
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.1
SynonymsBDBM50027200
VUF-5658
5-[4-(4-Chloro-phenyl)-piperazin-1-yl]-2,2-diphenyl-pentanenitrile
Inchi KeyVPNIQTLKZFUCQM-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28ClN3/c28-25-12-14-26(15-13-25)31-20-18-30(19-21-31)17-7-16-27(22-29,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15H,7,16-21H2
PubChem CID11532051
ChEMBLCHEMBL197342
IUPHARN/A
BindingDB50027200
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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