Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50155550
Substrate
n/a
Meas. Tech.
ChEMBL_302855 (CHEMBL828771)
Ki
7.2±n/a nM
Citation
 Chazalette, C; Masereel, B; Rolin, S; Thiry, A; Scozzafava, A; Innocenti, A; Supuran, CT Carbonic anhydrase inhibitors. Design of anticonvulsant sulfonamides incorporating indane moieties. Bioorg Med Chem Lett 14:5781-6 (2004) [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:
BDBM50155550
Synonyms:
2,3,5,6-Tetrafluoro-N-(5-sulfamoyl-indan-2-yl)-benzamide | 2,3,5,6-tetrafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)benzamide | CHEMBL186963
Type:
Small organic molecule
Emp. Form.:
C16H12F4N2O3S
Mol. Mass.:
388.337
SMILES:
NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)c1c(F)c(F)cc(F)c1F
Structure:
Search PDB for entries with ligand similarity: