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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

NameCHEMBL1924007
Molecular formulaC25H25Cl3N4O4S
IUPAC name3-[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]pyridin-2-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide
Molecular weight583.909
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50359027
SCHEMBL4912571
Inchi KeyANRVKRAATRXECV-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25Cl3N4O4S/c26-18-14-23(31-37(34,35)20-7-8-21(27)22(28)15-20)25(30-16-18)36-19-6-4-5-17(13-19)24(33)29-9-12-32-10-2-1-3-11-32/h4-8,13-16,31H,1-3,9-12H2,(H,29,33)
PubChem CID57393218
ChEMBLCHEMBL1924007
IUPHARN/A
BindingDB50359027
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
FC16.0 -PMID22047688ChEMBL
Ki79.0 nMPMID22047688BindingDB,ChEMBL
Ki1259.0 nMPMID22047688BindingDB,ChEMBL

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