Reaction Details Report a problem with these data
Target
Chitinase B
Ligand
BDBM50611497
Substrate
n/a
Meas. Tech.
ChEMBL_2283865
IC50
330±n/a nM
Citation
 Zhao, Z; Li, F; Chen, W; Yang, Q; Lu, H; Zhang, J Discovery of aromatic 2-(3-(methylcarbamoyl) guanidino)-N-aylacetamides as highly potent chitinase inhibitors. Bioorg Med Chem 80:0 (2023) [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:
BDBM50611497
Synonyms:
CHEMBL5277135
Type:
Small organic molecule
Emp. Form.:
C12H15F3N6O4
Mol. Mass.:
364.2805
SMILES:
OC(=O)C(F)(F)F.CNC(=O)NC(=N)NCC(=O)Nc1ccccn1
Structure:
Search PDB for entries with ligand similarity: