Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50209865
Substrate
n/a
Meas. Tech.
ChEMBL_1634230 (CHEMBL3877022)
Ki
9695±n/a nM
Citation
 Kumar, R; Bua, S; Ram, S; Del Prete, S; Capasso, C; Supuran, CT; Sharma, PK Benzenesulfonamide bearing imidazothiadiazole and thiazolotriazole scaffolds as potent tumor associated human carbonic anhydrase IX and XII inhibitors. Bioorg Med Chem 25:1286-1293 (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:
BDBM50209865
Synonyms:
CHEMBL3885122
Type:
Small organic molecule
Emp. Form.:
C16H11BrN4O2S2
Mol. Mass.:
435.318
SMILES:
NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(Br)cc3)n2n1
Structure:
Search PDB for entries with ligand similarity: