Reaction Details Report a problem with these data
Target
Chitinase
Ligand
BDBM50063753
Substrate
n/a
Meas. Tech.
ChEMBL_756521 (CHEMBL1804594)
Ki
468±n/a nM
Citation
 Garner, AL; Gloeckner, C; Tricoche, N; Zakhari, JS; Samje, M; Cho-Ngwa, F; Lustigman, S; Janda, KD Design, synthesis, and biological activities of closantel analogues: structural promiscuity and its impact on Onchocerca volvulus. J Med Chem 54:3963-72 (2011) [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:
BDBM50063753
Synonyms:
CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenyl)-2-hydroxy-3,5-diiodobenzamide | N-{5-Chloro-4-[(4-chloro-phenyl)-cyano-methyl]-2-methyl-phenyl}-2-hydroxy-3,5-diiodo-benzamide | cid_42574
Type:
Small organic molecule
Emp. Form.:
C22H14Cl2I2N2O2
Mol. Mass.:
663.074
SMILES:
Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O
Structure:
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