| Reaction Details |
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 | Report a problem with these data |
| Target | Chitinase B |
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| Ligand | BDBM50294763 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_576284 (CHEMBL1030286) |
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| IC50 | 230±n/a nM |
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| 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 Lett19:2630-3 (2009) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Chitinase B |
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| Name: | Chitinase B |
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| Synonyms: | CHIB_SERMA | chiB |
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| Type: | Enzyme |
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| Mol. Mass.: | 55462.70 |
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| Organism: | Serratia marcescens |
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| Description: | P11797 |
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| Residue: | 499 |
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| Sequence: | MSTRKAVIGYYFIPTNQINNYTETDTSVVPFPVSNITPAKAKQLTHINFSFLDINSNLEC
AWDPATNDAKARDVVNRLTALKAHNPSLRIMFSIGGWYYSNDLGVSHANYVNAVKTPAAR
TKFAQSCVRIMKDYGFDGVDIDWEYPQAAEVDGFIAALQEIRTLLNQQTIADGRQALPYQ
LTIAGAGGAFFLSRYYSKLAQIVAPLDYINLMTYDLAGPWEKITNHQAALFGDAAGPTFY
NALREANLGWSWEELTRAFPSPFSLTVDAAVQQHLMMEGVPSAKIVMGVPFYGRAFKGVS
GGNGGQYSSHSTPGEDPYPNADYWLVGCDECVRDKDPRIASYRQLEQMLQGNYGYQRLWN
DKTKTPYLYHAQNGLFVTYDDAESFKYKAKYIKQQQLGGVMFWHLGQDNRNGDLLAALDR
YFNAADYDDSQLDMGTGLRYTGVGPGNLPIMTAPAYVPGTTYAQGALVSYQGYVWQTKWG
YITSAPGSDSAWLKVGRLA
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| BDBM50294763 |
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| n/a |
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| Name | BDBM50294763 |
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| Synonyms: | (2R,5S,8S,11S,15S)-8-benzyl-15-(4-benzylpiperidine-1-carbonyl)-5-(3-(iminio(3-methylureido)methylamino)propyl)-2-isobutyl-7-methyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11-carboxylate | CHEMBL555042 |
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| Type | Small organic molecule |
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| Emp. Form. | C44H62N10O9 |
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| Mol. Mass. | 875.0247 |
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| SMILES | CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(=O)N1CCC(Cc2ccccc2)CC1 |r,w:7.7| |
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| Structure | 
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