Reaction Details Report a problem with these data
Target
Carbonic anhydrase 13
Ligand
BDBM248142
Substrate
n/a
Meas. Tech.
CA Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
Ki
6.9e+2±n/a nM
Comments
extracted
Citation
 Durdagi, S; Scozzafava, G; Vullo, D; Sahin, H; Kolayli, S; Supuran, CT Inhibition of mammalian carbonic anhydrases I-XIV with grayanotoxin III: solution and in silico studies. J Enzyme Inhib Med Chem 29:469-75 (2014) [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:
BDBM248142
Synonyms:
Grayanotoxin III (GTX3)
Type:
Small organic molecule
Emp. Form.:
C20H34O6
Mol. Mass.:
370.4804
SMILES:
C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1|
Structure:
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