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Target
Carbonic anhydrase 1
Ligand
BDBM50158512
Substrate
n/a
Meas. Tech.
ChEMBL_1566136 (CHEMBL3787805)
Ki
414±n/a nM
Citation
 Akdemir, A; Güzel-Akdemir, Ö; Karali, N; Supuran, CT Isatin analogs as novel inhibitors of Candida spp.ß-carbonic anhydrase enzymes. Bioorg Med Chem 24:1648-52 (2016) [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:
BDBM50158512
Synonyms:
CHEMBL3787222
Type:
Small organic molecule
Emp. Form.:
C15H13N3O3S
Mol. Mass.:
315.347
SMILES:
Cc1ccc2NC(=O)\C(=N/c3ccc(cc3)S(N)(=O)=O)c2c1
Structure:
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