Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50231545
Substrate
n/a
Meas. Tech.
ChEMBL_1645378 (CHEMBL3994307)
Ki
3649±n/a nM
Citation
 Krasavin, M; Korsakov, M; Zvonaryova, Z; Semyonychev, E; Tuccinardi, T; Kalinin, S; Tanç, M; Supuran, CT Human carbonic anhydrase inhibitory profile of mono- and bis-sulfonamides synthesized via a direct sulfochlorination of 3- and 4-(hetero)arylisoxazol-5-amine scaffolds. Bioorg Med Chem 25:1914-1925 (2017) [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:
BDBM50231545
Synonyms:
CHEMBL4093011
Type:
Small organic molecule
Emp. Form.:
C9H10N4O5S2
Mol. Mass.:
318.33
SMILES:
Nc1onc(c1S(N)(=O)=O)-c1cccc(c1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: