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Target
Cocaine esterase
Ligand
BDBM50130909
Substrate
n/a
Meas. Tech.
ChEMBL_1525590 (CHEMBL3637216)
IC50
36180±n/a nM
Citation
 Mai, ZP; Zhou, K; Ge, GB; Wang, C; Huo, XK; Dong, PP; Deng, S; Zhang, BJ; Zhang, HL; Huang, SS; Ma, XC Protostane Triterpenoids from the Rhizome of Alisma orientale Exhibit Inhibitory Effects on Human Carboxylesterase 2. J Nat Prod 78:2372-80 (2015) [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:
BDBM50130909
Synonyms:
CHEMBL2074634
Type:
Small organic molecule
Emp. Form.:
C31H48O6
Mol. Mass.:
516.7092
SMILES:
[H][C@]12CCC3C(C)(C)C(=O)CC[C@]3(C)[C@]1([H])[C@@H](O)CC1=C(CC[C@]21C)[C@H](C)C[C@](O)(CC(O)=O)C1OC1(C)C |r,t:21|
Structure:
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