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Target
Fructose-bisphosphate aldolase
Ligand
BDBM96200
Substrate
n/a
IC50
484.64±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:
BDBM96200
Synonyms:
7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid ethyl ester | 7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5H-[1,3]dioxol[4,5-f]indole-6-carboxylic acid ethyl ester | MLS000036721 | SMR000042322 | cid_661761 | ethyl 7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate | ethyl 7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate
Type:
Small organic molecule
Emp. Form.:
C23H23N3O5
Mol. Mass.:
421.4458
SMILES:
CCOC(=O)c1[nH]c2cc3OCOc3cc2c1NC(=O)CN1CCc2ccccc2C1
Structure:
Search PDB for entries with ligand similarity: