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Target
Carbonic anhydrase 1
Ligand
BDBM50569238
Substrate
n/a
Meas. Tech.
ChEMBL_2108569 (CHEMBL4817244)
Ki
7703±n/a nM
Citation
 Yamali, C; Sakagami, H; Uesawa, Y; Kurosaki, K; Satoh, K; Masuda, Y; Yokose, S; Ece, A; Bua, S; Angeli, A; Supuran, CT; Gul, HI Comprehensive study on potent and selective carbonic anhydrase inhibitors: Synthesis, bioactivities and molecular modelling studies of 4-(3-(2-arylidenehydrazine-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazole-1-yl) benzenesulfonamides. Eur J Med Chem 217:0 (2021) [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:
BDBM50569238
Synonyms:
CHEMBL4853063
Type:
Small organic molecule
Emp. Form.:
C23H22N6O3S2
Mol. Mass.:
494.589
SMILES:
CN(C)c1ccc(\C=N/NC(=O)c2cc(-c3cccs3)n(n2)-c2ccc(cc2)S(N)(=O)=O)cc1
Structure:
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