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Target
Chitinase B
Ligand
BDBM50257242
Substrate
n/a
Meas. Tech.
ChEMBL_562670 (CHEMBL1011829)
IC50
1000±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:
BDBM50257242
Synonyms:
CHEMBL454279 | N-Ac-Asp-D-Ala-Arg{N-omega-(N-methylcarbanoyl)}-N-methyl-Phe-Asp(OAllyl)-OH
Type:
Small organic molecule
Emp. Form.:
C34H49N9O12
Mol. Mass.:
775.806
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)N[C@@H](CC(=O)OCC=C)C(O)=O |r,w:7.7|
Structure:
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