Reaction Details Report a problem with these data
Target
Chitinase C1
Ligand
BDBM50257245
Substrate
n/a
Meas. Tech.
ChEMBL_562671 (CHEMBL1011830)
IC50
>30000±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 C1
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
51761.96
Organism:
Serratia marcescens
Description:
ChEMBL_562671
Residue:
480
Sequence:
MSTNNTINAVAADDAAIMPSIANKKILMGFWHNWAAGASDGYQQGQFANMNLTDIPTEYNVVAVAFMKGQGIPTFKPYNLSDTEFRRQVGVLNSQGRAVLISLGGADAHIELKTGDEDKLKDEIIRLVEVYGFDGLDIDLEQAAIGAANNKTVLPAALKKVKDHYAAQGKNFIISMAPEFPYLRTNGTYLDYINALEGYYDFIAPQYYNQGGDGIWVDELNAWITQNNDAMKEDFLYYLTESLVTGTRGYAKIPAAKFVIGLPSNNDAAATGYVVNKQAVYNAFSRLDAKNLSIKGLMTWSINWDNGKSKAGVAYNWEFKTRYAPLIQGGVTPPPGKPNAPTALTVAELGATSLKLSWAAATGAFPIASYTVYRNGNPIGQTAGLSLADGGLTPATQYSYFVTATDSQGNTSLPSSALAVKTANDGTPPDPGAPEWQNNHSYKAGDVVSYKGKKYTCIQAHTSNAGWTPDAAFTLWQLIA
  
Inhibitor
Name:
BDBM50257245
Synonyms:
CHEMBL449892 | N-Ac-Asp-D-Ala-Arg{N-omega-(N-methylcarbanoyl)}-N-methyl-Phe-OH
Type:
Small organic molecule
Emp. Form.:
C27H40N8O9
Mol. Mass.:
620.6547
SMILES:
CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O |r,w:7.7|
Structure:
Search PDB for entries with ligand similarity: