Reaction Details Report a problem with these data
Target
Chitinase B
Ligand
BDBM50173286
Substrate
n/a
Meas. Tech.
ChEMBL_562670 (CHEMBL1011829)
IC50
6400±n/a nM
Citation
 Sunazuka, T; Sugawara, A; Iguchi, K; Hirose, T; Nagai, K; Noguchi, Y; Saito, Y; Yamamoto, T; Ui, H; Gouda, H; Shiomi, K; Watanabe, T; Omura, S Argifin; efficient solid phase total synthesis and evaluation of analogues of acyclic peptide. Bioorg Med Chem 17:2751-8 (2009) [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:
BDBM50173286
Synonyms:
5-[3-[amino-(methylcarbamoylamino)methylidene]aminopropyl]-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acid | CHEMBL197199
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O
Structure:
Search PDB for entries with ligand similarity: