Reaction Details |
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Target | Carboxylic ester hydrolase |
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Ligand | BDBM50409662 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_92659 (CHEMBL877911) |
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IC50 | 10000±n/a nM |
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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 Chem45:5576-93 (2002) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Carboxylic ester hydrolase |
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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
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BDBM50409662 |
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n/a |
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Name | BDBM50409662 |
Synonyms: | CHEMBL152698 |
Type | Small organic molecule |
Emp. Form. | C10H18F2O |
Mol. Mass. | 192.2461 |
SMILES | CCCCCCCCC(=O)C(F)F |
Structure |
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