Ki Summary

Reaction Details

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Target

Chitinase B

Ligand

BDBM50173286

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1496849 (CHEMBL3580203)

IC50

6400±n/a nM

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

More Info.:

Get all data from this article, Assay Method

Chitinase B

Name:

Chitinase B

Synonyms:

CHIB_SERMA | chiB

Type:

Enzyme

Mol. Mass.:

55462.70

Organism:

Serratia marcescens

Description:

P11797

Residue:

499

Sequence:

MSTRKAVIGYYFIPTNQINNYTETDTSVVPFPVSNITPAKAKQLTHINFSFLDINSNLEC
AWDPATNDAKARDVVNRLTALKAHNPSLRIMFSIGGWYYSNDLGVSHANYVNAVKTPAAR
TKFAQSCVRIMKDYGFDGVDIDWEYPQAAEVDGFIAALQEIRTLLNQQTIADGRQALPYQ
LTIAGAGGAFFLSRYYSKLAQIVAPLDYINLMTYDLAGPWEKITNHQAALFGDAAGPTFY
NALREANLGWSWEELTRAFPSPFSLTVDAAVQQHLMMEGVPSAKIVMGVPFYGRAFKGVS
GGNGGQYSSHSTPGEDPYPNADYWLVGCDECVRDKDPRIASYRQLEQMLQGNYGYQRLWN
DKTKTPYLYHAQNGLFVTYDDAESFKYKAKYIKQQQLGGVMFWHLGQDNRNGDLLAALDR
YFNAADYDDSQLDMGTGLRYTGVGPGNLPIMTAPAYVPGTTYAQGALVSYQGYVWQTKWG
YITSAPGSDSAWLKVGRLA

BDBM50173286

n/a

Name

BDBM50173286

Synonyms:

5-[3-[amino-(methylcarbamoylamino)methylidene]aminopropyl]-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acid | CHEMBL197199

Type

Small organic molecule

Emp. Form.

C29H41N9O10

Mol. Mass.

675.6901

SMILES

CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](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)=O |r,w:7.7|

Structure