Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50615162
Substrate
n/a
Meas. Tech.
ChEMBL_2299834
IC50
45600±n/a nM
Citation
 Fernandes, GFS; Scarim, CB; Kim, SH; Wu, J; Castagnolo, D Oxazolidinones as versatile scaffolds in medicinal chemistry. RSC Med Chem 14:823-847 (2023) [PubMed]
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:
BDBM50615162
Synonyms:
CHEMBL5286328
Type:
Small organic molecule
Emp. Form.:
C10H15NO5
Mol. Mass.:
229.2298
SMILES:
[H][C@]12C[C@]3([H])OC(C)(C)O[C@]3([H])[C@@H](O)[C@@]1([H])NC(=O)O2 |r|
Structure:
Search PDB for entries with ligand similarity: