Reaction Details Report a problem with these data
Target
Chitinase
Ligand
BDBM50022832
Substrate
n/a
Meas. Tech.
ChEMBL_1369100 (CHEMBL3300321)
IC50
340±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:
BDBM50022832
Synonyms:
Rafoxanide
Type:
Small organic molecule
Emp. Form.:
C19H11Cl2I2NO3
Mol. Mass.:
626.01
SMILES:
Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
Structure:
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