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Target
Fructose-bisphosphate aldolase
Ligand
BDBM43962
Substrate
n/a
IC50
849.15±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:
BDBM43962
Synonyms:
5-(4-benzyl-1-piperazinyl)-2-(2-thienyl)-1,3-oxazole-4-carbonitrile | 5-(4-benzylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile | 5-(4-benzylpiperazino)-2-(2-thienyl)oxazole-4-carbonitrile | 5-[4-(phenylmethyl)-1-piperazinyl]-2-thiophen-2-yl-4-oxazolecarbonitrile | 5-[4-(phenylmethyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile | MLS000088920 | SMR000073154 | cid_1978771
Type:
Small organic molecule
Emp. Form.:
C19H18N4OS
Mol. Mass.:
350.437
SMILES:
N#Cc1nc(oc1N1CCN(Cc2ccccc2)CC1)-c1cccs1
Structure:
Search PDB for entries with ligand similarity: