Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50114861
Substrate
n/a
Meas. Tech.
ChEMBL_1512513 (CHEMBL3610377)
Ki
0.010000±n/a nM
Citation
 Krasavin, M; Korsakov, M; Dorogov, M; Tuccinardi, T; Dedeoglu, N; Supuran, CT Probing the 'bipolar' nature of the carbonic anhydrase active site: aromatic sulfonamides containing 1,3-oxazol-5-yl moiety as picomolar inhibitors of cytosolic CA I and CA II isoforms. Eur J Med Chem 101:334-47 (2015) [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:
BDBM50114861
Synonyms:
CHEMBL3608873
Type:
Small organic molecule
Emp. Form.:
C14H15N3O4S
Mol. Mass.:
321.352
SMILES:
NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C(=O)N1CCCC1
Structure:
Search PDB for entries with ligand similarity: