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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

NameCHEMBL231149
Molecular formulaC36H33F6N5O2S
IUPAC nameN-[4-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-4-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-oxobutan-2-yl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
Molecular weight713.743
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP7.2
SynonymsBDBM50198111
N-{4-[1-({[3,5-bis(trifluoromethyl)phenyl]methyl}carbamoyl)-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]propyl]-1,3-thiazol-2-yl}pyridine-3-carboxamide
Inchi KeyQWNVTHCYECOXOH-DHYFXEGDSA-N
Inchi IDInChI=1S/C36H33F6N5O2S/c1-22-20-47(14-11-34(22)10-8-24-5-2-3-7-29(24)34)13-9-28(30-21-50-33(45-30)46-31(48)25-6-4-12-43-19-25)32(49)44-18-23-15-26(35(37,38)39)17-27(16-23)36(40,41)42/h2-8,10,12,15-17,19,21-22,28H,9,11,13-14,18,20H2,1H3,(H,44,49)(H,45,46,48)/t22-,28?,34+/m0/s1
PubChem CID44425320
ChEMBLCHEMBL231149
IUPHARN/A
BindingDB50198111
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
IC5014.0 nMPMID17092717BindingDB,ChEMBL

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