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Target
Chitinase B
Ligand
BDBM50089855
Substrate
n/a
Meas. Tech.
ChEMBL_1496849 (CHEMBL3580203)
IC50
11900±n/a nM
Citation
 Sugawara, A; Maita, N; Gouda, H; Yamamoto, T; Hirose, T; Kimura, S; Saito, Y; Nakano, H; Kasai, T; Nakano, H; Shiomi, K; Hirono, S; Watanabe, T; Taniguchi, H; Omura, S; Sunazuka, T Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase. J Med Chem 58:4984-97 (2015) [PubMed]  Article 
Target
Name:
Chitinase B
Synonyms:
CHIB_SERMA | chiB
Type:
Enzyme
Mol. Mass.:
55462.70
Organism:
Serratia marcescens
Description:
P11797
Residue:
499
Sequence:
MSTRKAVIGYYFIPTNQINNYTETDTSVVPFPVSNITPAKAKQLTHINFSFLDINSNLECAWDPATNDAKARDVVNRLTALKAHNPSLRIMFSIGGWYYSNDLGVSHANYVNAVKTPAARTKFAQSCVRIMKDYGFDGVDIDWEYPQAAEVDGFIAALQEIRTLLNQQTIADGRQALPYQLTIAGAGGAFFLSRYYSKLAQIVAPLDYINLMTYDLAGPWEKITNHQAALFGDAAGPTFYNALREANLGWSWEELTRAFPSPFSLTVDAAVQQHLMMEGVPSAKIVMGVPFYGRAFKGVSGGNGGQYSSHSTPGEDPYPNADYWLVGCDECVRDKDPRIASYRQLEQMLQGNYGYQRLWNDKTKTPYLYHAQNGLFVTYDDAESFKYKAKYIKQQQLGGVMFWHLGQDNRNGDLLAALDRYFNAADYDDSQLDMGTGLRYTGVGPGNLPIMTAPAYVPGTTYAQGALVSYQGYVWQTKWGYITSAPGSDSAWLKVGRLA
  
Inhibitor
Name:
BDBM50089855
Synonyms:
CHEMBL3577612
Type:
Small organic molecule
Emp. Form.:
C33H59N7O8
Mol. Mass.:
681.8637
SMILES:
[H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](OCc1cn(CCNC(=N)NC(=O)NC)nn1)[C@](C)(O)C[C@H]2C |r,@@:11|
Structure:
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