Reaction Details Report a problem with these data
Target
Chitinase B
Ligand
BDBM50257240
Substrate
n/a
Meas. Tech.
ChEMBL_562670 (CHEMBL1011829)
IC50
130±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
More Info.:
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:
BDBM50257240
Synonyms:
CHEMBL450552 | N-Ac-Arg{N-omega-(N-methylcarbanoyl)}-N-methyl-Phe-Asp(OAllyl)-OH
Type:
Small organic molecule
Emp. Form.:
C27H39N7O8
Mol. Mass.:
589.6407
SMILES:
CNC(=O)NC(N)=NCCC[C@H](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|