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Target
Fructose-bisphosphate aldolase
Ligand
BDBM96230
Substrate
n/a
IC50
1942±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:
BDBM96230
Synonyms:
MLS000052286 | N-(1-adamantylmethyl)-2-ethyl-3-methoxy-6-indazolecarboxamide | N-(1-adamantylmethyl)-2-ethyl-3-methoxy-indazole-6-carboxamide | N-(1-adamantylmethyl)-2-ethyl-3-methoxyindazole-6-carboxamide | SMR000156432 | cid_11958686
Type:
Small organic molecule
Emp. Form.:
C22H29N3O2
Mol. Mass.:
367.4846
SMILES:
[H]C12CC3([H])CC([H])(C1)CC(CNC(=O)c1ccc4c(OC)n(CC)nc4c1)(C2)C3 |TLB:8:1:29:6.9.5,THB:2:3:9:1.28.8,2:1:9:3.29.5|
Structure:
Search PDB for entries with ligand similarity: