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Name | C-C chemokine receptor type 2 |
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Species | Homo sapiens (Human) |
Gene | CCR2 |
Synonym | MCP-1-R Monocyte chemoattractant protein 1 receptor CKR2 MCP-1 receptor chemokine receptor CCR2 [ Show all ] |
Disease | Chronic obstructive pulmonary disease Neuropathic pain Multiple scierosis Metastatic cancer; Multiple scierosis Inflammatory disease [ Show all ] |
Length | 374 |
Amino acid sequence | MLSTSRSRFIRNTNESGEEVTTFFDYDYGAPCHKFDVKQIGAQLLPPLYSLVFIFGFVGNMLVVLILINCKKLKCLTDIYLLNLAISDLLFLITLPLWAHSAANEWVFGNAMCKLFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWLVAVFASVPGIIFTKCQKEDSVYVCGPYFPRGWNNFHTIMRNILGLVLPLLIMVICYSGILKTLLRCRNEKKRHRAVRVIFTIMIVYFLFWTPYNIVILLNTFQEFFGLSNCESTSQLDQATQVTETLGMTHCCINPIIYAFVGEKFRSLFHIALGCRIAPLQKPVCGGPGVRPGKNVKVTTQGLLDGRGKGKSIGRAPEASLQDKEGA |
UniProt | P41597 |
Protein Data Bank | 6gpx, 6gps |
GPCR-HGmod model | P41597 |
3D structure model | This structure is from PDB ID 6gpx. |
BioLiP | BL0437328,BL0437329, BL0437327, BL0437326, BL0437325 |
Therapeutic Target Database | T89988 |
ChEMBL | CHEMBL4015 |
IUPHAR | 59 |
DrugBank | N/A |
Name | CHEMBL271935 |
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Molecular formula | C22H24F3N3O3 |
IUPAC name | N-[2-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide |
Molecular weight | 435.447 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | BDBM50375748 |
Inchi Key | BBRQDYWGXACESR-GOSISDBHSA-N |
Inchi ID | InChI=1S/C22H24F3N3O3/c1-31-19-7-5-15(6-8-19)13-28-10-9-18(14-28)27-20(29)12-26-21(30)16-3-2-4-17(11-16)22(23,24)25/h2-8,11,18H,9-10,12-14H2,1H3,(H,26,30)(H,27,29)/t18-/m1/s1 |
PubChem CID | 44453373 |
ChEMBL | CHEMBL271935 |
IUPHAR | N/A |
BindingDB | 50375748 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 35.0 nM | PMID18313297 | BindingDB,ChEMBL |
IC50 | 114.0 nM | PMID18313297 | BindingDB,ChEMBL |
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