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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 | CHEMBL3263272 |
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Molecular formula | C23H29F3N2O5 |
IUPAC name | [(3aS,5S,6aR)-5-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazin-3-yl]methanone |
Molecular weight | 470.489 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 1.9 |
Synonyms | ((3aS,5S,6aR)-5-(((3S,4S)-3-methoxytetrahydro-2H-pyran-4-yl)amino)hexahydro-2H-cyclopenta[b]furan-3a-yl)(6-(trifluoromethyl)-2H-benzo[e][1,3]oxazin-3(4H)-yl)methanone BDBM50011990 SCHEMBL15320284 ARUZBCPDBNETAH-HTJFHPCASA-N |
Inchi Key | ARUZBCPDBNETAH-HTJFHPCASA-N |
Inchi ID | InChI=1S/C23H29F3N2O5/c1-30-19-12-31-6-4-17(19)27-16-9-20-22(10-16,5-7-32-20)21(29)28-11-14-8-15(23(24,25)26)2-3-18(14)33-13-28/h2-3,8,16-17,19-20,27H,4-7,9-13H2,1H3/t16-,17+,19-,20-,22-/m1/s1 |
PubChem CID | 71768900 |
ChEMBL | CHEMBL3263272 |
IUPHAR | N/A |
BindingDB | 50011990 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 6.6 nM | PMID24685539 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218