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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 | CHEMBL3417223 |
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Molecular formula | C35H39F3N2O2 |
IUPAC name | [(1S,3R)-3-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone |
Molecular weight | 576.704 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 7.3 |
Synonyms | BDBM50077920 |
Inchi Key | APPSTWKASLEFLV-VJVBZRJBSA-N |
Inchi ID | InChI=1S/C35H39F3N2O2/c1-22(2)34(33(41)40-16-14-23-7-10-28(35(36,37)38)18-27(23)21-40)15-13-29(20-34)39-32-12-9-26-17-25(8-11-31(26)32)24-5-4-6-30(19-24)42-3/h4-8,10-11,17-19,22,29,32,39H,9,12-16,20-21H2,1-3H3/t29-,32?,34+/m1/s1 |
PubChem CID | 118734678 |
ChEMBL | CHEMBL3417223 |
IUPHAR | N/A |
BindingDB | 50077920 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 39.0 nM | PMID25666912 | BindingDB,ChEMBL |
Ratio | 0.8 - | PMID25666912 | ChEMBL |
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