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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

NameCHEMBL231340
Molecular formulaC37H35F6N5O2S
IUPAC nameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-2-[2-[(2-pyridin-2-ylacetyl)amino]-1,3-thiazol-4-yl]butanamide
Molecular weight727.77
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP7.2
SynonymsBDBM50198119
N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-4-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]-2-{2-[2-(pyridin-2-yl)acetamido]-1,3-thiazol-4-yl}butanamide
Inchi KeyAAMCCXZHVCUGJS-KEHMHDMQSA-N
Inchi IDInChI=1S/C37H35F6N5O2S/c1-23-21-48(15-12-35(23)11-9-25-6-2-3-8-30(25)35)14-10-29(31-22-51-34(46-31)47-32(49)19-28-7-4-5-13-44-28)33(50)45-20-24-16-26(36(38,39)40)18-27(17-24)37(41,42)43/h2-9,11,13,16-18,22-23,29H,10,12,14-15,19-21H2,1H3,(H,45,50)(H,46,47,49)/t23-,29?,35+/m0/s1
PubChem CID44425319
ChEMBLCHEMBL231340
IUPHARN/A
BindingDB50198119
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5013.0 nMPMID17092717BindingDB,ChEMBL

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