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GPCR

NameC-C chemokine receptor type 2
SpeciesHomo sapiens (Human)
GeneCCR2
SynonymMCP-1-R
Monocyte chemoattractant protein 1 receptor
CKR2
MCP-1 receptor
chemokine receptor CCR2
[ Show all ]
DiseaseChronic obstructive pulmonary disease
Neuropathic pain
Multiple scierosis
Metastatic cancer; Multiple scierosis
Inflammatory disease
[ Show all ]
Length374
Amino acid sequenceMLSTSRSRFIRNTNESGEEVTTFFDYDYGAPCHKFDVKQIGAQLLPPLYSLVFIFGFVGNMLVVLILINCKKLKCLTDIYLLNLAISDLLFLITLPLWAHSAANEWVFGNAMCKLFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWLVAVFASVPGIIFTKCQKEDSVYVCGPYFPRGWNNFHTIMRNILGLVLPLLIMVICYSGILKTLLRCRNEKKRHRAVRVIFTIMIVYFLFWTPYNIVILLNTFQEFFGLSNCESTSQLDQATQVTETLGMTHCCINPIIYAFVGEKFRSLFHIALGCRIAPLQKPVCGGPGVRPGKNVKVTTQGLLDGRGKGKSIGRAPEASLQDKEGA
UniProtP41597
Protein Data Bank6gpx, 6gps
GPCR-HGmod modelP41597
3D structure modelThis structure is from PDB ID 6gpx.
BioLiPBL0437328,BL0437329, BL0437327, BL0437326, BL0437325
Therapeutic Target DatabaseT89988
ChEMBLCHEMBL4015
IUPHAR59
DrugBankN/A

Ligand

NameCHEMBL3358696
Molecular formulaC24H28F3N3O2
IUPAC nameN-[2-oxo-2-[[1-(3-phenylpropyl)piperidin-4-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
Molecular weight447.502
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.3
SynonymsN/A
Inchi KeyAYYOUWLKXJIDQA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28F3N3O2/c25-24(26,27)20-10-4-9-19(16-20)23(32)28-17-22(31)29-21-11-14-30(15-12-21)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,21H,5,8,11-15,17H2,(H,28,32)(H,29,31)
PubChem CID118723019
ChEMBLCHEMBL3358696
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition6.0 %PMID25453791ChEMBL

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