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TargetCarboxylic ester hydrolase
LigandBDBM50409663
Substrate/Competitorn/a
Meas. Tech.ChEMBL_92659 (CHEMBL877911)
IC50 117489.76±n/a nM
Citation Wheelock, CEColvin, MEUemura, IOlmstead, MMSanborn, JRNakagawa, YJones, ADHammock, BD Use of ab initio calculations to predict the biological potency of carboxylesterase inhibitors. J Med Chem45:5576-93 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Carboxylic ester hydrolase
Name:Carboxylic ester hydrolase
Synonyms:CG8425-PA [Drosophila melanogaster]
Type:PROTEIN
Mol. Mass.:64506.23
Organism:Drosophila melanogaster
Description:ChEMBL_92659
Residue:579
Sequence:
MIQQRMLQLLLLGQLLAGPGPFCAALATVDQLTVCPPSVGCLKGTNLQGYQSERFEAFMG
IPYALPPIGDLRFSNPKVMPKLLGMYDASAPKMDCIQKNYLLPTPVVYGDEDCLYLNVYR
PEIRKSALPVMVYIHGGGFFGGSAGPGVTGPEYFMDSGEVILVTMAYRLGPFGFLSTQDA
VMSGNFGLKDQNLALRWVQRNIRFFGGDPQRVTIFGQSAGGVAAHMHLLSPRSHGLFHRV
ISMSGTANVPFAIAEQPLEQARLLAEFADVPDARNLSTVKLTKALRRINATKLLNAGDGL
KYWDVDHMTNFRPVVEEGLEVDAFLNAHPMDMLAQGMPTSIPLLLGTVPGEGAVRVVNIL
GNETLRQSFNLRFDELLQELLEFPASFSQDRREKMMDLLVEVYFQGQHEVNELTVQGFMN
LISDRGFKQPLYNTIHKNVCHTPNPVYLYSFNYQGPLSYASAYTSANVTGKYGVVHCDDL
LYLFRSPLLFPDFQRNSTEAKVIHSFVDYFVHFAKFGKPRNSESLTPCSIEVLQSRPDGI
CDYHEFANAPDAYQGFEVHVASEFQTDRVNLWSHILNEK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50409663
n/a
NameBDBM50409663
Synonyms:CHEMBL150821
TypeSmall organic molecule
Emp. Form.C9H18OSe
Mol. Mass.221.2
SMILESCCCCCC[Se]CC(C)=O
Structure
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