Reaction Details Report a problem with these data
Target
Chitinase B
Ligand
BDBM50587859
Substrate
n/a
Meas. Tech.
ChEMBL_2185486 (CHEMBL5097568)
Ki
150±n/a nM
Citation
 Gaba, S; Saini, A; Singh, G; Monga, V An insight into the medicinal attributes of berberine derivatives: A review. Bioorg Med Chem 38:0 (2021) [PubMed] 
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:
BDBM50587859
Synonyms:
CHEMBL5180998
Type:
Small organic molecule
Emp. Form.:
C25H26ClNO6
Mol. Mass.:
471.93
SMILES:
[Cl-].COCCCCC(=O)Oc1c(OC)ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc12
Structure:
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