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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

NameCHEMBL3417223
Molecular formulaC35H39F3N2O2
IUPAC name[(1S,3R)-3-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Molecular weight576.704
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP7.3
SynonymsBDBM50077920
Inchi KeyAPPSTWKASLEFLV-VJVBZRJBSA-N
Inchi IDInChI=1S/C35H39F3N2O2/c1-22(2)34(33(41)40-16-14-23-7-10-28(35(36,37)38)18-27(23)21-40)15-13-29(20-34)39-32-12-9-26-17-25(8-11-31(26)32)24-5-4-6-30(19-24)42-3/h4-8,10-11,17-19,22,29,32,39H,9,12-16,20-21H2,1-3H3/t29-,32?,34+/m1/s1
PubChem CID118734678
ChEMBLCHEMBL3417223
IUPHARN/A
BindingDB50077920
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki39.0 nMPMID25666912BindingDB,ChEMBL
Ratio0.8 -PMID25666912ChEMBL

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