Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96098
Substrate
n/a
IC50
>9989±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:
BDBM96098
Synonyms:
3,4-Dihydro-1H-isoquinoline-2-carboxylic acid naphthalen-1-ylamide | MLS000528990 | N-(1-naphthalenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide | N-(1-naphthyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide | N-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide | SMR000121465 | cid_2901712
Type:
Small organic molecule
Emp. Form.:
C20H18N2O
Mol. Mass.:
302.3697
SMILES:
O=C(Nc1cccc2ccccc12)N1CCc2ccccc2C1
Structure:
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