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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

NameCHEMBL427396
Molecular formulaC23H26ClF3N4O2
IUPAC name2-amino-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
Molecular weight482.932
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.2
SynonymsSCHEMBL4848457
AKNWXVJEVORFRQ-UHFFFAOYSA-N
1-(4-chlorobenzyl)-4-[{(N-(2-amino-5-trifluoromethylbenzoyl)glycyl)amino}methyl]piperidine
BDBM50187055
N-(2-((1-(4-chlorobenzyl)piperidin-4-yl)methylamino)-2-oxoethyl)-2-amino-5-(trifluoromethyl)benzamide
Inchi KeyAKNWXVJEVORFRQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26ClF3N4O2/c24-18-4-1-16(2-5-18)14-31-9-7-15(8-10-31)12-29-21(32)13-30-22(33)19-11-17(23(25,26)27)3-6-20(19)28/h1-6,11,15H,7-10,12-14,28H2,(H,29,32)(H,30,33)
PubChem CID9934977
ChEMBLCHEMBL427396
IUPHARN/A
BindingDB50187055
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50200.0 nMPMID16698264BindingDB,ChEMBL

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