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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

NameCHEMBL208685
Molecular formulaC21H22F6N2OS
IUPAC name(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[2-(dimethylamino)ethylsulfanyl]-2-phenylacetamide
Molecular weight464.47
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50187047
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(dimethylamino)ethylthio)-2-phenylacetamide
Inchi KeyALCHXFSAGPIQMB-SFHVURJKSA-N
Inchi IDInChI=1S/C21H22F6N2OS/c1-29(2)8-9-31-18(15-6-4-3-5-7-15)19(30)28-13-14-10-16(20(22,23)24)12-17(11-14)21(25,26)27/h3-7,10-12,18H,8-9,13H2,1-2H3,(H,28,30)/t18-/m0/s1
PubChem CID44413257
ChEMBLCHEMBL208685
IUPHARN/A
BindingDB50187047
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5025.0 nMPMID16698264BindingDB,ChEMBL

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