Reaction Details Report a problem with these data
Target
6,7-dimethyl-8-ribityllumazine synthase
Ligand
BDBM50316575
Substrate
n/a
Meas. Tech.
ChEMBL_631472 (CHEMBL1114706)
Ki
832000±n/a nM
Citation
 Talukdar, A; Morgunova, E; Duan, J; Meining, W; Foloppe, N; Nilsson, L; Bacher, A; Illarionov, B; Fischer, M; Ladenstein, R; Cushman, M Virtual screening, selection and development of a benzindolone structural scaffold for inhibition of lumazine synthase. Bioorg Med Chem 18:3518-34 (2010) [PubMed]  Article 
Target
Name:
6,7-dimethyl-8-ribityllumazine synthase
Synonyms:
RISB_MYCTU | ribH
Type:
PROTEIN
Mol. Mass.:
16367.39
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_631469
Residue:
160
Sequence:
MKGGAGVPDLPSLDASGVRLAIVASSWHGKICDALLDGARKVAAGCGLDDPTVVRVLGAIEIPVVAQELARNHDAVVALGVVIRGQTPHFDYVCDAVTQGLTRVSLDSSTPIANGVLTTNTEEQALDRAGLPTSAEDKGAQATVAALATALTLRELRAHS
  
Inhibitor
Name:
BDBM50316575
Synonyms:
CHEMBL1095229 | Ethyl2-(6-chloro-2,4,dioxo-1,2,3,4-tetrahydropyrimidin-5-ylamino)-2-oxoethanoate
Type:
Small organic molecule
Emp. Form.:
C8H8ClN3O5
Mol. Mass.:
261.619
SMILES:
CCOC(=O)C(=O)Nc1c(Cl)[nH]c(=O)[nH]c1=O
Structure:
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