Reaction Details Report a problem with these data
Target
Monoglyceride lipase
Ligand
BDBM50563785
Substrate
n/a
Meas. Tech.
ChEMBL_2084324 (CHEMBL4765587)
IC50
74±n/a nM
Citation
 Afzal, O; Akhtar, MS; Kumar, S; Ali, MR; Jaggi, M; Bawa, S Hit to lead optimization of a series of N-[4-(1,3-benzothiazol-2-yl)phenyl]acetamides as monoacylglycerol lipase inhibitors with potential anticancer activity. Eur J Med Chem 121:318-330 (2016) [PubMed]  Article 
Target
Name:
Monoglyceride lipase
Synonyms:
HU-K5 | Lysophospholipase homolog | Lysophospholipase-like | MAGL | MGL | MGLL | MGLL_HUMAN
Type:
Hydrolase
Mol. Mass.:
33264.56
Organism:
Homo sapiens (Human)
Description:
Human recombinant MGL (Cayman Chemical, cat# 10008354).
Residue:
303
Sequence:
MPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWKPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNLVLPNLSLGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP
  
Inhibitor
Name:
BDBM50563785
Synonyms:
CHEMBL4792393
Type:
Small organic molecule
Emp. Form.:
C21H18N4O3S2
Mol. Mass.:
438.523
SMILES:
NS(=O)(=O)c1ccc(NCC(=O)Nc2ccc(cc2)-c2nc3ccccc3s2)cc1
Structure:
Search PDB for entries with ligand similarity: