Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM193816
Substrate
n/a
Meas. Tech.
Carbonic Anhydrase (bCAII) Inhibition Assay
pH
7.2±n/a
IC50
2.022e+4± 3.9e+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:
BDBM193816
Synonyms:
N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide (5k)
Type:
Small organic molecule
Emp. Form.:
C29H19Cl4N3O3S
Mol. Mass.:
631.356
SMILES:
Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Structure:
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