Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM75766
Substrate
n/a
IC50
469.33±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:
BDBM75766
Synonyms:
1-Cyclohexyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid cyclopentylamide | 1-cyclohexyl-N-cyclopentyl-2-imino-10-methyl-5-oxo-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxamide | 1-cyclohexyl-N-cyclopentyl-2-imino-10-methyl-5-oxodipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide | 1-cyclohexyl-N-cyclopentyl-2-imino-5-keto-10-methyl-dipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide | 2-azanylidene-1-cyclohexyl-N-cyclopentyl-10-methyl-5-oxidanylidene-dipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide | MLS001221311 | SMR000612036 | cid_1077532
Type:
Small organic molecule
Emp. Form.:
C24H29N5O2
Mol. Mass.:
419.5194
SMILES:
Cc1cccn2c1nc1n(C3CCCCC3)c(=N)c(cc1c2=O)C(=O)NC1CCCC1
Structure:
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