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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

NameCHEMBL371031
Molecular formulaC29H28ClF3N2O
IUPAC name5-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile
Molecular weight513.001
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.5
Synonyms5-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentanenitrile
BDBM50027209
SCHEMBL904956
Inchi KeyKJWMVKZBUSNLLL-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H28ClF3N2O/c30-26-13-12-24(20-25(26)29(31,32)33)28(36)15-18-35(19-16-28)17-7-14-27(21-34,22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-13,20,36H,7,14-19H2
PubChem CID11584791
ChEMBLCHEMBL371031
IUPHARN/A
BindingDB50027209
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5045700.0 nMPMID16190772BindingDB,ChEMBL

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