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Target
Chitinase B
Ligand
BDBM50294761
Substrate
n/a
Meas. Tech.
ChEMBL_576284 (CHEMBL1030286)
IC50
9900±n/a nM
Citation
 Gouda, H; Sunazuka, T; Iguchi, K; Sugawara, A; Hirose, T; Noguchi, Y; Saito, Y; Yanai, Y; Yamamoto, T; Watanabe, T; Shiomi, K; Omura, S; Hirono, S Computer-aided rational molecular design of argifin-derivatives with increased inhibitory activity against chitinase B from Serratia marcescens. Bioorg Med Chem Lett 19:2630-3 (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:
BDBM50294761
Synonyms:
(2R,5S,8S,11S,15S)-2,8-dibenzyl-15-carboxy-5-(3-(iminio(3-methylureido)methylamino)propyl)-7-methyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11-carboxylate | CHEMBL538641
Type:
Small organic molecule
Emp. Form.:
C35H45N9O10
Mol. Mass.:
751.7861
SMILES:
CNC(=O)NC(N)=[NH+]CCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C([O-])=O)C(O)=O |r,w:7.7|
Structure:
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