Reaction Details Report a problem with these data
Target
Chitinase
Ligand
BDBM50022825
Substrate
n/a
Meas. Tech.
ChEMBL_1369100 (CHEMBL3300321)
IC50
3710±n/a nM
Citation
 Gooyit, M; Tricoche, N; Lustigman, S; Janda, KD Dual protonophore-chitinase inhibitors dramatically affect O. volvulus molting. J Med Chem 57:5792-9 (2014) [PubMed]  Article 
Target
Name:
Chitinase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
55694.80
Organism:
Onchocerca volvulus
Description:
ChEMBL_1369100
Residue:
497
Sequence:
MRIGAMLIPFIILGNAIIAYGYVRGCYYTNWAQYRQGEGKFLPEDIPKGLCTHILYAFAKVDQSGTSLPFEWNDEDTNWSKGMYSRVTKLKENDPEMKILLSYGGYNFGSSTFTAIRNRAEKRKHFIKSAIAFLRKNKFDGFDFDWEYPIGMAQEYAKLVNEMKVAFVEEAKKSDSEQLLLTAAVSAGKHTIDQSYNVQSLGENFDLLSLMSYDFHGSWEMNVDLHAKLHPTKGETSGTGIFNTEFAANYWLSKGMPKQKIIIGIPTYGRGWTLRDSSKTTIGAEGISPSSPSTTNPAGGTAAYWEICKYLKEGGKETIDEQGVGACMVQGSQWYGYDNEETIRMKMRWLKEKGYGGAFIWTLDFDDFKGTSCGEGPYPLLSAINHELKGEATATTRSLRTTITQSSTIGSTKFETTTTASEITKNNKIKTTTIAVEPTGESSDIKCPESFGLFRHPNDCHLFIHCAHDHPYVKLCPPNTFFNDKIKVCDHFGECDE
  
Inhibitor
Name:
BDBM50022825
Synonyms:
CHEMBL3298098
Type:
Small organic molecule
Emp. Form.:
C21H17I2NO3
Mol. Mass.:
585.1735
SMILES:
COc1c(I)cc(I)cc1C(=O)N(C)c1ccc(Oc2ccccc2)cc1
Structure:
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