Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 2
LigandBDBM193797
Substrate/Competitorn/a
Meas. Tech.Carbonic Anhydrase (bCAII) Inhibition Assay
pH7.2±n/a
IC50 2.886e+4± 7.1e+2 nM
Commentsextracted
Citation Imran, STaha, MIsmail, NHFayyaz, SKhan, KMChoudhary, MI Synthesis of novel bisindolylmethanes: New carbonic anhydrase II inhibitors, docking, and 3D pharmacophore studies. Bioorg Chem68:90-104 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase 2
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:
MSHHWGYGKHNGPEHWHKDFPIANGERQSPVDIDTKAVVQDPALKPLALVYGEATSRRMV
NNGHSFNVEYDDSQDKAVLKDGPLTGTYRLVQFHFHWGSSDDQGSEHTVDRKKYAAELHL
VHWNTKYGDFGTAAQQPDGLAVVGVFLKVGDANPALQKVLDALDSIKTKGKSTDFPNFDP
GSLLPNVLDYWTYPGSLTTPPLLESVTWIVLKEPISVSSQQMLKFRTLNFNAEGEPELLM
LANWRPAQPLKNRQVRGFPK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM193797
n/a
NameBDBM193797
Synonyms:N-(4-(bis(5-bromo-1H-indol-3-yl)methyl)phenyl)-2,4-dinitrobenzenesulfonamide (4g)
TypeSmall organic molecule
Emp. Form.C29H19Br2N5O6S
Mol. Mass.725.364
SMILES[O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: