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Target
Carbonic anhydrase 1
Ligand
BDBM50527092
Substrate
n/a
Meas. Tech.
ChEMBL_1902055 (CHEMBL4404277)
Ki
59±n/a nM
Citation
 Fares, M; Eldehna, WM; Bua, S; Lanzi, C; Lucarini, L; Masini, E; Peat, TS; Abdel-Aziz, HA; Nocentini, A; Keller, PA; Supuran, CT Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action. J Med Chem 63:3317-3326 (2020) [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:
BDBM50527092
Synonyms:
CHEMBL4593779
Type:
Small organic molecule
Emp. Form.:
C18H20N4O6S
Mol. Mass.:
420.44
SMILES:
COc1ccc(N\N=C(/C(C)=O)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC
Structure:
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