Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM150253
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.5±n/a
Ki
3203±n/a nM
Comments
extracted
Citation
 Lambin, P; Winum, J; Supuran, C Cancer targeting using carbonic anhydrase isoform IX inhibitors US Patent  US8980932 Publication Date 3/17/2015 
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:
BDBM150253
Synonyms:
US8980932, 4a (DH296)
Type:
Small organic molecule
Emp. Form.:
C11H11N5O5S
Mol. Mass.:
325.301
SMILES:
NS(=O)(=O)c1ccc(NC(=O)Cn2ccnc2[N+]([O-])=O)cc1
Structure:
Search PDB for entries with ligand similarity: