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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

NameCHEMBL3577940
Molecular formulaC28H36F3N3O2
IUPAC nameN-[2-[[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-(2-phenylethyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular weight503.61
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.8
SynonymsBDBM50089337
Inchi KeyAQTIPNCIMOFYSH-SDUSCBPUSA-N
Inchi IDInChI=1S/C28H36F3N3O2/c1-19(2)34(3)24-14-15-25(21(17-24)13-12-20-8-5-4-6-9-20)33-26(35)18-32-27(36)22-10-7-11-23(16-22)28(29,30)31/h4-11,16,19,21,24-25H,12-15,17-18H2,1-3H3,(H,32,36)(H,33,35)/t21-,24-,25+/m1/s1
PubChem CID122178128
ChEMBLCHEMBL3577940
IUPHARN/A
BindingDB50089337
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
IC501.8 nMPMID25893046BindingDB,ChEMBL
IC502.5 nMPMID25893046BindingDB,ChEMBL

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