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Target
Carboxylic ester hydrolase
Ligand
BDBM50371960
Substrate
n/a
Meas. Tech.
ChEMBL_92659 (CHEMBL877911)
IC50
147.91±n/a nM
Citation
 Wheelock, CE; Colvin, ME; Uemura, I; Olmstead, MM; Sanborn, JR; Nakagawa, Y; Jones, AD; Hammock, BD Use of ab initio calculations to predict the biological potency of carboxylesterase inhibitors. J Med Chem 45:5576-93 (2002) [PubMed]  Article 
Target
Name:
Carboxylic ester hydrolase
Synonyms:
CG8425-PA [Drosophila melanogaster]
Type:
PROTEIN
Mol. Mass.:
64506.23
Organism:
Drosophila melanogaster
Description:
ChEMBL_92659
Residue:
579
Sequence:
MIQQRMLQLLLLGQLLAGPGPFCAALATVDQLTVCPPSVGCLKGTNLQGYQSERFEAFMGIPYALPPIGDLRFSNPKVMPKLLGMYDASAPKMDCIQKNYLLPTPVVYGDEDCLYLNVYRPEIRKSALPVMVYIHGGGFFGGSAGPGVTGPEYFMDSGEVILVTMAYRLGPFGFLSTQDAVMSGNFGLKDQNLALRWVQRNIRFFGGDPQRVTIFGQSAGGVAAHMHLLSPRSHGLFHRVISMSGTANVPFAIAEQPLEQARLLAEFADVPDARNLSTVKLTKALRRINATKLLNAGDGLKYWDVDHMTNFRPVVEEGLEVDAFLNAHPMDMLAQGMPTSIPLLLGTVPGEGAVRVVNILGNETLRQSFNLRFDELLQELLEFPASFSQDRREKMMDLLVEVYFQGQHEVNELTVQGFMNLISDRGFKQPLYNTIHKNVCHTPNPVYLYSFNYQGPLSYASAYTSANVTGKYGVVHCDDLLYLFRSPLLFPDFQRNSTEAKVIHSFVDYFVHFAKFGKPRNSESLTPCSIEVLQSRPDGICDYHEFANAPDAYQGFEVHVASEFQTDRVNLWSHILNEK
  
Inhibitor
Name:
BDBM50371960
Synonyms:
CHEMBL155621
Type:
Small organic molecule
Emp. Form.:
C9H15F3O3S
Mol. Mass.:
260.274
SMILES:
CCCCCCS(=O)(=O)CC(=O)C(F)(F)F
Structure:
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