Target
Fructose-bisphosphate aldolase
Ligand
BDBM96130
Substrate
n/a
IC50
1060±n/a nM
Citation
 PubChem, PC Fluorescence-based biochemical high throughput dose response assay for inhibitors of the fructose-bisphosphate aldolase (FBA) of M. tuberculosis PubChem Bioassay (2013)[AID] 
Target
Name:
Fructose-bisphosphate aldolase
Synonyms:
ALF_MYCTU | FBP aldolase | FBPA | Fructose-1,6-bisphosphate aldolase | Fructose-1,6-bisphosphate aldolase (FBA) | Fructose-bisphosphate aldolase | Probable fructose-bisphosphate aldolase Fba | fba
Type:
Protein
Mol. Mass.:
36539.01
Organism:
Mycobacterium tuberculosis (strain H37Rv)
Description:
P9WQA3
Residue:
344
Sequence:
MPIATPEVYAEMLGQAKQNSYAFPAINCTSSETVNAAIKGFADAGSDGIIQFSTGGAEFGSGLGVKDMVTGAVALAEFTHVIAAKYPVNVALHTDHCPKDKLDSYVRPLLAISAQRVSKGGNPLFQSHMWDGSAVPIDENLAIAQELLKAAAAAKIILEIEIGVVGGEEDGVANEINEKLYTSPEDFEKTIEALGAGEHGKYLLAATFGNVHGVYKPGNVKLRPDILAQGQQVAAAKLGLPADAKPFDFVFHGGSGSLKSEIEEALRYGVVKMNVDTDTQYAFTRPIAGHMFTNYDGVLKVDGEVGVKKVYDPRSYLKKAEASMSQRVVQACNDLHCAGKSLTH
  
Inhibitor
Name:
BDBM96130
Synonyms:
1-Amino-7,8,8-trimethyl-5-morpholin-4-yl-6,7,8,9-tetrahydro-3-thia-4,7-diaza-cyclopenta[a]naphthalene- 2-carbonitrile | 1-amino-7,8,8-trimethyl-5-(4-morpholinyl)-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carbonitrile | 1-amino-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carbonitrile | 1-amino-7,8,8-trimethyl-5-morpholino-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carbonitrile | 1-azanyl-7,8,8-trimethyl-5-morpholin-4-yl-6,9-dihydrothieno[2,3-c][2,7]naphthyridine-2-carbonitrile | MLS000779659 | SMR000419842 | cid_3744387
Type:
Small organic molecule
Emp. Form.:
C18H23N5OS
Mol. Mass.:
357.473
SMILES:
CN1Cc2c(nc3sc(C#N)c(N)c3c2CC1(C)C)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: