Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50050777
Substrate
n/a
Meas. Tech.
ChEMBL_1459252 (CHEMBL3367482)
Ki
1300±n/a nM
Citation
 De Monte, C; Carradori, S; Secci, D; D'Ascenzio, M; Vullo, D; Ceruso, M; Supuran, CT Cyclic tertiary sulfamates: selective inhibition of the tumor-associated carbonic anhydrases IX and XII by N- and O-substituted acesulfame derivatives. Eur J Med Chem 84:240-6 (2014) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 1
Synonyms:
CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA
Type:
Enzyme
Mol. Mass.:
28873.37
Organism:
Homo sapiens (Human)
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50050777
Synonyms:
CHEMBL3322525
Type:
Small organic molecule
Emp. Form.:
C12H10N2O7S
Mol. Mass.:
326.282
SMILES:
CC1=CC(=O)N(CC(=O)c2cccc(c2)[N+]([O-])=O)S(=O)(=O)O1 |t:1|
Structure:
Search PDB for entries with ligand similarity: