| Reaction Details |
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 | Report a problem with these data |
| Target | Chitinase B |
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| Ligand | BDBM50089846 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1496849 (CHEMBL3580203) |
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| IC50 | 374±n/a nM |
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| Citation |  Sugawara, A; Maita, N; Gouda, H; Yamamoto, T; Hirose, T; Kimura, S; Saito, Y; Nakano, H; Kasai, T; Nakano, H; Shiomi, K; Hirono, S; Watanabe, T; Taniguchi, H; Omura, S; Sunazuka, T Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase. J Med Chem58:4984-97 (2015) [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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| BDBM50089846 |
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| n/a |
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| Name | BDBM50089846 |
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| Synonyms: | CHEMBL3577621 |
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| Type | Small organic molecule |
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| Emp. Form. | C37H65N5O9 |
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| Mol. Mass. | 723.9401 |
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| SMILES | [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)NCCCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C |r,@@:11| |
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| Structure | 
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