Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM193812
Substrate
n/a
Meas. Tech.
Carbonic Anhydrase (bCAII) Inhibition Assay
pH
7.2±n/a
IC50
1.56e+4± 7.9e+2 nM
Comments
extracted
Citation
 Imran, S; Taha, M; Ismail, NH; Fayyaz, S; Khan, KM; Choudhary, MI Synthesis of novel bisindolylmethanes: New carbonic anhydrase II inhibitors, docking, and 3D pharmacophore studies. Bioorg Chem 68:90-104 (2016) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 2
Synonyms:
CA2 | CAH2_BOVIN | Carbonic anhydrase | Carbonic anhydrase 2 | Carbonic anhydrase II | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
29115.93
Organism:
Bos taurus
Description:
n/a
Residue:
260
Sequence:
MSHHWGYGKHNGPEHWHKDFPIANGERQSPVDIDTKAVVQDPALKPLALVYGEATSRRMVNNGHSFNVEYDDSQDKAVLKDGPLTGTYRLVQFHFHWGSSDDQGSEHTVDRKKYAAELHLVHWNTKYGDFGTAAQQPDGLAVVGVFLKVGDANPALQKVLDALDSIKTKGKSTDFPNFDPGSLLPNVLDYWTYPGSLTTPPLLESVTWIVLKEPISVSSQQMLKFRTLNFNAEGEPELLMLANWRPAQPLKNRQVRGFPK
  
Inhibitor
Name:
BDBM193812
Synonyms:
N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-2,4-dinitrobenzenesulfonamide (5g)
Type:
Small organic molecule
Emp. Form.:
C29H19Cl2N5O6S
Mol. Mass.:
636.462
SMILES:
[O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Structure:
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