Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50130751
Substrate
n/a
Meas. Tech.
ChEMBL_1524847 (CHEMBL3636829)
Ki
9.7±n/a nM
Citation
 Ibrahim, HS; Abou-Seri, SM; Tanc, M; Elaasser, MM; Abdel-Aziz, HA; Supuran, CT Isatin-pyrazole benzenesulfonamide hybrids potently inhibit tumor-associated carbonic anhydrase isoforms IX and XII. Eur J Med Chem 103:583-93 (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:
BDBM50130751
Synonyms:
CHEMBL3633383
Type:
Small organic molecule
Emp. Form.:
C24H18N6O4S
Mol. Mass.:
486.503
SMILES:
NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccccc23)c1-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: