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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

NameCHEMBL2088382
Molecular formulaC31H41F3N4O3S
IUPAC nameN-[(1S,2R,4R)-2-[(4-tert-butylphenyl)sulfonylmethyl]-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]acetamide
Molecular weight606.749
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.3
SynonymsBDBM50391017
SCHEMBL3422645
Inchi KeyAQKOLUZKBNCOKF-HOKHCIIBSA-N
Inchi IDInChI=1S/C31H41F3N4O3S/c1-19(2)38(6)22-12-15-25(20(16-22)18-42(40,41)23-13-10-21(11-14-23)30(3,4)5)36-28(39)17-27-35-26-9-7-8-24(29(26)37-27)31(32,33)34/h7-11,13-14,19-20,22,25H,12,15-18H2,1-6H3,(H,35,37)(H,36,39)/t20-,22+,25-/m0/s1
PubChem CID11467577
ChEMBLCHEMBL2088382
IUPHARN/A
BindingDB50391017
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
IC50136.5 nMPMID22939233ChEMBL
IC50137.0 nMPMID22939233BindingDB

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