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Target
Carbonic anhydrase 1
Ligand
BDBM23399
Substrate
n/a
Meas. Tech.
ChEMBL_835654 (CHEMBL2071765)
Ki
5070±n/a nM
Citation
 Sechi, M; Innocenti, A; Pala, N; Rogolino, D; Carcelli, M; Scozzafava, A; Supuran, CT Inhibition ofa-class cytosolic human carbonic anhydrases I, II, IX and XII, andß-class fungal enzymes by carboxylic acids and their derivatives: new isoform-I selective nanomolar inhibitors. Bioorg Med Chem Lett 22:5801-6 (2012) [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:
BDBM23399
Synonyms:
4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-dioxobutanoic acid | CHEMBL421353 | CHEMBL50605 | L-731988
Type:
Small organic molecule
Emp. Form.:
C15H12FNO4
Mol. Mass.:
289.2585
SMILES:
OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Structure:
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