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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

NameTCMDC-139117
Molecular formulaC25H30Cl2N4O
IUPAC name1-(3,4-dichlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea
Molecular weight473.442
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP5.7
Synonyms3-[1-[5-[3-(3,4-Dichlorophenyl)ureido]pentyl]-4-piperidinyl]-1H-indole
1-(3,4-Dichloro-phenyl)-3-{5-[4-(1H-indol-3-yl)-piperidin-1-yl]-pentyl}-urea
CHEMBL300025
1-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-3-(3,4-dichlorophenyl)urea
BDBM50091441
Inchi KeyARMKFSFVQYRQSN-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30Cl2N4O/c26-22-9-8-19(16-23(22)27)30-25(32)28-12-4-1-5-13-31-14-10-18(11-15-31)21-17-29-24-7-3-2-6-20(21)24/h2-3,6-9,16-18,29H,1,4-5,10-15H2,(H2,28,30,32)
PubChem CID44296501
ChEMBLCHEMBL300025
IUPHARN/A
BindingDB50091441
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1600.0 nMPMID10969972, PMID18226895BindingDB,ChEMBL
Ki1621.81 nMPMID18226895ChEMBL

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