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Target
Carbonic anhydrase 1
Ligand
BDBM50531529
Substrate
n/a
Meas. Tech.
ChEMBL_1920402 (CHEMBL4423247)
Ki
5.4±n/a nM
Citation
 Krasavin, M; Shetnev, A; Sharonova, T; Baykov, S; Kalinin, S; Nocentini, A; Sharoyko, V; Poli, G; Tuccinardi, T; Presnukhina, S; Tennikova, TB; Supuran, CT Continued exploration of 1,2,4-oxadiazole periphery for carbonic anhydrase-targeting primary arene sulfonamides: Discovery of subnanomolar inhibitors of membrane-bound hCA IX isoform that selectively kill cancer cells in hypoxic environment. Eur J Med Chem 164:92-105 (2019) [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:
BDBM50531529
Synonyms:
CHEMBL4515112
Type:
Small organic molecule
Emp. Form.:
C13H11N3O4S2
Mol. Mass.:
337.374
SMILES:
COc1cccc(c1)-c1noc(n1)-c1csc(c1)S(N)(=O)=O
Structure:
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