Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50408243
Substrate
n/a
Meas. Tech.
ChEMBL_1739476 (CHEMBL4155226)
Ki
464±n/a nM
Citation
 Angeli, A; di Cesare Mannelli, L; Lucarini, E; Peat, TS; Ghelardini, C; Supuran, CT Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects. Eur J Med Chem 154:210-219 (2018) [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:
BDBM50408243
Synonyms:
CHEMBL4167276
Type:
Small organic molecule
Emp. Form.:
C13H14N2O2SSe
Mol. Mass.:
341.29
SMILES:
[#7]-c1ccc([Se;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1
Structure:
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