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Target
Chitinase B
Ligand
BDBM50257243
Substrate
n/a
Meas. Tech.
ChEMBL_649695 (CHEMBL1219393)
IC50
3700±n/a nM
Citation
 Gouda, H; Sunazuka, T; Hirose, T; Iguchi, K; Yamaotsu, N; Sugawara, A; Noguchi, Y; Saito, Y; Yamamoto, T; Watanabe, T; Shiomi, K; Omura, S; Hirono, S NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin. Bioorg Med Chem 18:5835-44 (2010) [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:
BDBM50257243
Synonyms:
(2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid | CHEMBL493316 | Dipeptide | N-Ac-Arg{N-omega-(N-methylcarbanoyl)}-N-methyl-Phe-OH | N-acetyl-Arg{N(omega)-(N-methylcarbamoyl)}-N-methyl-Phe
Type:
Small organic molecule
Emp. Form.:
C20H30N6O5
Mol. Mass.:
434.4894
SMILES:
CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O |r,w:7.7|
Structure:
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