Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50240174
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
158±n/a nM
Citation
 Supuran, C; Dedhar, S; McDonald, PC; Carta, F Sulfonamide compounds for inhibition of metastatic tumor growth US Patent  US9962398 Publication Date 5/8/2018 
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:
BDBM50240174
Synonyms:
CHEMBL4100248 | US9962398, Compound MST-147
Type:
Small organic molecule
Emp. Form.:
C13H11F2N3O3S
Mol. Mass.:
327.307
SMILES:
NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)cccc2F)cc1
Structure:
Search PDB for entries with ligand similarity: