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GPCR

NameC-C chemokine receptor type 5
SpeciesHomo sapiens (Human)
GeneCCR5
SynonymCD195
chemokine (C-C motif) receptor 5 (gene/pseudogene)
CHEMR13
CCR5
CCR-5
[ Show all ]
DiseaseHuman immunodeficiency virus infection
Length352
Amino acid sequenceMDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
UniProtP51681
Protein Data Bank4mbs, 6aky, 6akx, 5uiw
GPCR-HGmod modelP51681
3D structure modelThis structure is from PDB ID 4mbs.
BioLiPBL0430746, BL0430745, BL0430742,BL0430744, BL0430741,BL0430743, BL0382816, BL0256313,BL0256315, BL0256312,BL0256314
Therapeutic Target DatabaseT72171
ChEMBLCHEMBL274
IUPHAR62
DrugBankBE0000911

Ligand

NameCHEMBL182557
Molecular formulaC29H33FN2O
IUPAC nameN-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(2-fluorophenyl)-N-methylacetamide
Molecular weight444.594
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.8
SynonymsBDBM50157024
N-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-2-(2-fluoro-phenyl)-N-methyl-acetamide
Inchi KeyAQSZXJNAEASUOL-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H33FN2O/c1-31(29(33)22-25-14-8-9-15-28(25)30)26-16-19-32(20-17-26)21-18-27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,26-27H,16-22H2,1H3
PubChem CID44392144
ChEMBLCHEMBL182557
IUPHARN/A
BindingDB50157024
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501900.0 nMPMID15582404BindingDB,ChEMBL

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