Reaction Details Report a problem with these data
Target
Carbonic anhydrase 13
Ligand
BDBM50513286
Substrate
n/a
Meas. Tech.
ChEMBL_1852933 (CHEMBL4353557)
Ki
>10000±n/a nM
Citation
 Angeli, A; Di Cesare Mannelli, L; Ghelardini, C; Peat, TS; Bartolucci, G; Menicatti, M; Carta, F; Supuran, CT Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects. Eur J Med Chem 177:188-197 (2019) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 13
Synonyms:
CA13 | CAH13_HUMAN | Carbonic anhydrase | Carbonic anhydrase 13 (CA XIII) | Carbonic anhydrase XIII (CA XIII)
Type:
Enzyme
Mol. Mass.:
29445.78
Organism:
Homo sapiens (Human)
Description:
Q8N1Q1
Residue:
262
Sequence:
MSRLSWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDPSSAKIISNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSADDHGSEHIVDGVSYAAELHVVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIGEPNSQLQKITDTLDSIKEKGKQTRFTNFDLLSLLPPSWDYWTYPGSLTVPPLLESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAAFLVSNHRPPQPLKGRKVRASFH
  
Inhibitor
Name:
BDBM50513286
Synonyms:
CHEMBL4470319
Type:
Small organic molecule
Emp. Form.:
C23H26N4O5SSe
Mol. Mass.:
549.5
SMILES:
[#7]S(=O)(=O)c1ccc(-[#6][Se;v2]c2ccc(-[#7]-[#6](=O)-[#6]-[#7]-3-[#6](=O)-[#7]C4([#6]-[#6]-[#6]-[#6]-[#6]4)[#6]-3=O)cc2)cc1
Structure:
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