Target
Cocaine esterase
Ligand
BDBM22795
Substrate
n/a
Meas. Tech.
ChEMBL_944082 (CHEMBL2341915)
Ki
32±n/a nM
Citation
 Hatfield, MJTsurkan, LGHyatt, JLEdwards, CCLemoff, AJeffries, CYan, BPotter, PM Modulation of esterified drug metabolism by tanshinones from Salvia miltiorrhiza ("Danshen"). J Nat Prod 76:36-44 (2013) [PubMed]  Article 
Target
Name:
Cocaine esterase
Synonyms:
CES2 | Carboxylesterase 2 | EST2_HUMAN | ICE
Type:
PROTEIN
Mol. Mass.:
61801.08
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1494240
Residue:
559
Sequence:
MRLHRLRARLSAVACGLLLLLVRGQGQDSASPIRTTHTGQVLGSLVHVKGANAGVQTFLGIPFAKPPLGPLRFAPPEPPESWSGVRDGTTHPAMCLQDLTAVESEFLSQFNMTFPSDSMSEDCLYLSIYTPAHSHEGSNLPVMVWIHGGALVFGMASLYDGSMLAALENVVVVIIQYRLGVLGFFSTGDKHATGNWGYLDQVAALRWVQQNIAHFGGNPDRVTIFGESAGGTSVSSLVVSPISQGLFHGAIMESGVALLPGLIASSADVISTVVANLSACDQVDSEALVGCLRGKSKEEILAINKPFKMIPGVVDGVFLPRHPQELLASADFQPVPSIVGVNNNEFGWLIPKVMRIYDTQKEMDREASQAALQKMLTLLMLPPTFGDLLREEYIGDNGDPQTLQAQFQEMMADSMFVIPALQVAHFQCSRAPVYFYEFQHQPSWLKNIRPPHMKADHGDELPFVFRSFFGGNYIKFTEEEEQLSRKMMKYWANFARNGNPNGEGLPHWPLFDQEEQYLQLNLQPAVGRALKAHRLQFWKKALPQKIQELEEPEERHTEL
  
Inhibitor
Name:
BDBM22795
Synonyms:
1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione | Isatin-based compound, 15
Type:
Small organic molecule
Emp. Form.:
C15H10ClNO2
Mol. Mass.:
271.698
SMILES:
Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
Structure:
Search PDB for entries with ligand similarity: