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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

Name4'-Chloro-2,2':6',2''-terpyridine
Molecular formulaC15H10ClN3
IUPAC name4-chloro-2,6-dipyridin-2-ylpyridine
Molecular weight267.716
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.0
Synonyms4'-Chloro-2,2':6',2''-terpyridine, 99%
4-chloro-2,6-bis(2-pyridinyl)pyridine
ACMC-1CG8D
C-16802
J-400573
[ Show all ]
Inchi KeyAHEMFMCEBIJRMU-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H
PubChem CID667748
ChEMBLCHEMBL2205805
IUPHARN/A
BindingDB50401354
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<1000000.0 nMPMID22957890BindingDB,ChEMBL
EC50>1000000.0 nMPMID22957890ChEMBL
IC507943.28 nMPMID22957890BindingDB,ChEMBL
IC508100.0 nMPMID22957890BindingDB,ChEMBL
Inhibition516.0 %PMID22957890ChEMBL
Ratio IC5010.0 -PMID22957890ChEMBL

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