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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 | CHEMBL404269 |
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Molecular formula | C22H25F3N4O4 |
IUPAC name | 2-amino-N-[2-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide |
Molecular weight | 466.461 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 4 |
XlogP | 2.6 |
Synonyms | BDBM50375755 |
Inchi Key | AMKLMRVIQNTLKG-OAHLLOKOSA-N |
Inchi ID | InChI=1S/C22H25F3N4O4/c1-33-19-5-2-13(8-18(19)30)11-29-7-6-15(12-29)28-20(31)10-27-21(32)16-9-14(22(23,24)25)3-4-17(16)26/h2-5,8-9,15,30H,6-7,10-12,26H2,1H3,(H,27,32)(H,28,31)/t15-/m1/s1 |
PubChem CID | 44453325 |
ChEMBL | CHEMBL404269 |
IUPHAR | N/A |
BindingDB | 50375755 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 9.2 nM | PMID18313297 | BindingDB,ChEMBL |
IC50 | 53.0 nM | PMID18313297 | BindingDB,ChEMBL |
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