Reaction Details
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Target
Chitinase C1
Ligand
BDBM50173286
Substrate
n/a
Meas. Tech.
ChEMBL_562671 (CHEMBL1011830)
IC50
>30000±n/a nM
Citation
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More Info.:
Target
Name:
Chitinase C1
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
51761.96
Organism:
Serratia marcescens
Description:
ChEMBL_562671
Residue:
480
Sequence:
MSTNNTINAVAADDAAIMPSIANKKILMGFWHNWAAGASDGYQQGQFANMNLTDIPTEYNVVAVAFMKGQGIPTFKPYNLSDTEFRRQVGVLNSQGRAVLISLGGADAHIELKTGDEDKLKDEIIRLVEVYGFDGLDIDLEQAAIGAANNKTVLPAALKKVKDHYAAQGKNFIISMAPEFPYLRTNGTYLDYINALEGYYDFIAPQYYNQGGDGIWVDELNAWITQNNDAMKEDFLYYLTESLVTGTRGYAKIPAAKFVIGLPSNNDAAATGYVVNKQAVYNAFSRLDAKNLSIKGLMTWSINWDNGKSKAGVAYNWEFKTRYAPLIQGGVTPPPGKPNAPTALTVAELGATSLKLSWAAATGAFPIASYTVYRNGNPIGQTAGLSLADGGLTPATQYSYFVTATDSQGNTSLPSSALAVKTANDGTPPDPGAPEWQNNHSYKAGDVVSYKGKKYTCIQAHTSNAGWTPDAAFTLWQLIA
Inhibitor
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|