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Target
Monoglyceride lipase
Ligand
BDBM50394388
Substrate
n/a
Meas. Tech.
ChEMBL_1450299 (CHEMBL3377010)
IC50
33±n/a nM
Citation
 Afzal, O; Kumar, S; Kumar, R; Firoz, A; Jaggi, M; Bawa, S Docking based virtual screening and molecular dynamics study to identify potential monoacylglycerol lipase inhibitors. Bioorg Med Chem Lett 24:3986-96 (2014) [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:
BDBM50394388
Synonyms:
CHEMBL2159799
Type:
Small organic molecule
Emp. Form.:
C20H21N5O
Mol. Mass.:
347.4136
SMILES:
O=C(N1CCN(C\C=C\c2ccccc2)CC1)n1nnc2ccccc12
Structure:
Search PDB for entries with ligand similarity: