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Target
Carbonic anhydrase 1
Ligand
BDBM50271197
Substrate
n/a
Meas. Tech.
ChEMBL_1709744 (CHEMBL4119793)
Ki
>10000±n/a nM
Citation
 Bianco, G; Meleddu, R; Distinto, S; Cottiglia, F; Gaspari, M; Melis, C; Corona, A; Angius, R; Angeli, A; Taverna, D; Alcaro, S; Leitans, J; Kazaks, A; Tars, K; Supuran, CT; Maccioni, E -Acylbenzenesulfonamide Dihydro-1,3,4-oxadiazole Hybrids: Seeking Selectivity toward Carbonic Anhydrase Isoforms. ACS Med Chem Lett 8:792-796 (2017) [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:
BDBM50271197
Synonyms:
CHEMBL4126823
Type:
Small organic molecule
Emp. Form.:
C19H19N3O6S
Mol. Mass.:
417.436
SMILES:
COc1ccc(cc1)C1OC(=NN1C(C)=O)c1ccc(cc1)S(=O)(=O)NC(C)=O |c:11|
Structure:
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