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Target
Cocaine esterase
Ligand
BDBM50428825
Substrate
n/a
Meas. Tech.
ChEMBL_944081 (CHEMBL2341914)
Ki
28790±n/a nM
Citation
 Hatfield, MJ; Tsurkan, LG; Hyatt, JL; Edwards, CC; Lemoff, A; Jeffries, C; Yan, B; Potter, 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:
BDBM50428825
Synonyms:
CHEMBL1473252 | tanshinone IIA sulfonate
Type:
Small organic molecule
Emp. Form.:
C19H17O6S
Mol. Mass.:
373.4
SMILES:
Cc1c2c(oc1S([O-])(=O)=O)-c1ccc3c(CCCC3(C)C)c1C(=O)C2=O
Structure:
Search PDB for entries with ligand similarity: