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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

NameCHEMBL199065
Molecular formulaC35H34N2
IUPAC name5-(4-benzhydrylidenepiperidin-1-yl)-2,2-diphenylpentanenitrile
Molecular weight482.671
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP8.0
SynonymsBDBM50027214
5-(4-Benzhydrylidene-piperidin-1-yl)-2,2-diphenyl-pentanenitrile
Inchi KeyQYEKUEKGGGUKAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H34N2/c36-28-35(32-18-9-3-10-19-32,33-20-11-4-12-21-33)24-13-25-37-26-22-31(23-27-37)34(29-14-5-1-6-15-29)30-16-7-2-8-17-30/h1-12,14-21H,13,22-27H2
PubChem CID11533698
ChEMBLCHEMBL199065
IUPHARN/A
BindingDB50027214
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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