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Target
Carbonic anhydrase 1
Ligand
BDBM50258731
Substrate
n/a
Meas. Tech.
ChEMBL_499840 (CHEMBL972472)
Ki
4430±n/a nM
Citation
 Gitto, R; Ferro, S; Agnello, S; De Luca, L; De Sarro, G; Russo, E; Vullo, D; Supuran, CT; Chimirri, A Synthesis and evaluation of pharmacological profile of 1-aryl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamides. Bioorg Med Chem 17:3659-64 (2009) [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:
BDBM50258731
Synonyms:
6,7-Dimethoxy-1-(4'-fluorophenyl)-3,4-dihydroisoquinoline-2(1H)-sulfonamide | CHEMBL511425
Type:
Small organic molecule
Emp. Form.:
C17H19FN2O4S
Mol. Mass.:
366.407
SMILES:
COc1cc2CCN(C(c3ccc(F)cc3)c2cc1OC)S(N)(=O)=O
Structure:
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