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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

NameCHEMBL224166
Molecular formulaC17H21N5
IUPAC nameN-[1-(1H-pyrrol-2-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
Molecular weight295.39
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.4
SynonymsBDBM50196689
N-(1-((1H-pyrrol-2-yl)methyl)piperidin-3-yl)-1H-indazol-5-amine
N-[1-(1H-2-pyrrolylmethyl)-3-piperidyl]-N-(1H-5-indazolyl)amine
Inchi KeyAFRRRQARLYDLTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21N5/c1-3-15(18-7-1)11-22-8-2-4-16(12-22)20-14-5-6-17-13(9-14)10-19-21-17/h1,3,5-7,9-10,16,18,20H,2,4,8,11-12H2,(H,19,21)
PubChem CID44421860
ChEMBLCHEMBL224166
IUPHARN/A
BindingDB50196689
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5010000.0 nMPMID17046269BindingDB,ChEMBL

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