Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase class 2
Ligand
BDBM58344
Substrate
n/a
Meas. Tech.
ChEMBL_1921621 (CHEMBL4424466)
Ki
2800±n/a nM
Citation
 Xiao, S; Wei, L; Hong, Z; Rao, L; Ren, Y; Wan, J; Feng, L Design, synthesis and algicides activities of thiourea derivatives as the novel scaffold aldolase inhibitors. Bioorg Med Chem 27:805-812 (2019) [PubMed]  Article 
Target
Name:
Fructose-bisphosphate aldolase class 2
Synonyms:
4.1.2.13 | ALF2_SYNY3 | FBP aldolase | FBPA | Fructose-1,6-bisphosphate aldolase | Fructose-bisphosphate aldolase class 2 | Fructose-bisphosphate aldolase class II | fbaA | fda | fda
Type:
PROTEIN
Mol. Mass.:
38964.97
Organism:
Synechocystis sp. (strain PCC 6803 / Kazusa)
Description:
ChEMBL_119070
Residue:
359
Sequence:
MALVPMRLLLDHAAENGYGIPAFNVNNMEQIISIMQAADETDSPVILQASRGARSYAGENFLRHLVLGAVETYPHIPIAMHQDHGNSPATCYSAIRNGFTSVMMDGSLEADAKTPASFEYNVNVTAEVVKVAHSVGASVEGELGCLGSLETGQGEAEDGHGFEGKLDHSQLLTDPEEAVEFVNKTQVDALAVAIGTSHGAYKFTRKPTGEVLAISRIEEIHRLLPNTHLVMHGSSSVPQEWIDMINEFGGAIPETYGVPVEEIQKGIKSGVRKVNIDTDNRLAITAAFREAAAKDPKNFDPRHFLKPSIKYMKQVCADRYQQFWTAGNASKIKQLTLDDYAAKYAKGELTATSRTSVAV
  
Inhibitor
Name:
BDBM58344
Synonyms:
MLS001211194 | N-[N'-(4-Nitro-benzoyl)-hydrazinocarbothioyl]-benzamide | N-[[(4-nitrobenzoyl)amino]carbamothioyl]benzamide | N-[[(4-nitrobenzoyl)amino]thiocarbamoyl]benzamide | N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]benzamide | N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide | SMR000516961 | cid_3132895
Type:
Small organic molecule
Emp. Form.:
C15H12N4O4S
Mol. Mass.:
344.345
SMILES:
[O-][N+](=O)c1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: