You can:
Name | C-C chemokine receptor type 2 |
---|---|
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 | CHEMBL3417216 |
---|---|
Molecular formula | C30H37F3N2O3 |
IUPAC name | [(1S,3R)-3-[(4,7-dimethoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone |
Molecular weight | 530.632 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 5.6 |
Synonyms | BDBM50077923 |
Inchi Key | AYCUFQQHIPKKPO-LYUOWNPOSA-N |
Inchi ID | InChI=1S/C30H37F3N2O3/c1-18(2)29(28(36)35-14-12-19-5-6-21(30(31,32)33)15-20(19)17-35)13-11-22(16-29)34-24-8-7-23-25(37-3)9-10-26(38-4)27(23)24/h5-6,9-10,15,18,22,24,34H,7-8,11-14,16-17H2,1-4H3/t22-,24?,29+/m1/s1 |
PubChem CID | 118734671 |
ChEMBL | CHEMBL3417216 |
IUPHAR | N/A |
BindingDB | 50077923 |
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 | 49.0 nM | PMID25666912 | BindingDB,ChEMBL |
Ratio | 0.8 - | PMID25666912 | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218