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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

NameCHEMBL198308
Molecular formulaC25H30N2O2
IUPAC nameethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate
Molecular weight390.527
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.6
SynonymsBDBM50027194
1-(4-Cyano-4,4-diphenyl-butyl)-piperidine-4-carboxylic acid ethyl ester
Inchi KeyPFAYWWJBJWEALF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N2O2/c1-2-29-24(28)21-14-18-27(19-15-21)17-9-16-25(20-26,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,21H,2,9,14-19H2,1H3
PubChem CID11510165
ChEMBLCHEMBL198308
IUPHARN/A
BindingDB50027194
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC50<100000.0 nMPMID16190772BindingDB,ChEMBL
IC5034700.0 nMPMID16190772BindingDB,ChEMBL

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