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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

NameCHEMBL183261
Molecular formulaC32H39N3O
IUPAC name1-[1-(3,3-diphenylpropyl)piperidin-4-yl]-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea
Molecular weight481.684
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.4
Synonyms1-Allyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-3-(3-methyl-benzyl)-urea
BDBM50157015
Inchi KeyACQOHKAMPJYKEH-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H39N3O/c1-3-20-35(32(36)33-25-27-12-10-11-26(2)24-27)30-17-21-34(22-18-30)23-19-31(28-13-6-4-7-14-28)29-15-8-5-9-16-29/h3-16,24,30-31H,1,17-23,25H2,2H3,(H,33,36)
PubChem CID44392196
ChEMBLCHEMBL183261
IUPHARN/A
BindingDB50157015
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50240.0 nMPMID15582404BindingDB,ChEMBL

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