Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 2
LigandBDBM50079057
Substrate/Competitorn/a
Meas. Tech.ChEMBL_45247 (CHEMBL658950)
Ki 9.00±n/a nM
Citation Agrawal, VKKhadikar, PV Modelling of carbonic anhydrase inhibitory activity of sulfonamides using molecular negentropy. Bioorg Med Chem Lett13:447-53 (2003) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase 2
Name:Carbonic anhydrase 2
Synonyms:CA-II | CA2 | CAC | CAH2_HUMAN | Carbonate dehydratase II | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase 2 (CA-II) | Carbonic anhydrase 2 (Recombinant CA II) | Carbonic anhydrase C | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II) | Carbonic anhydrase II (CAII) | Carbonic anhydrase II (hCA II) | Carbonic anhydrase isoenzyme II (hCA II)
Type:Enzyme
Mol. Mass.:29250.71
Organism:Homo sapiens (Human)
Description:P00918
Residue:260
Sequence:
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRIL
NNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHL
VHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDP
RGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELM
VDNWRPAQPLKNRQIKASFK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50079057
n/a
NameBDBM50079057
Synonyms:4-Chloro-6-(5,7-dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-benzene-1,3-disulfonic acid diamide | BDBM50222616 | CHEMBL88519
TypeSmall organic molecule
Emp. Form.C13H9ClN4O6S2
Mol. Mass.416.817
SMILESNS(=O)(=O)c1cc(c(cc1Cl)N1C(=O)c2cccnc2C1=O)S(N)(=O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: