Reaction Details Report a problem with these data
Target
Carbonic anhydrase 13
Ligand
BDBM50300203
Substrate
n/a
Meas. Tech.
ChEMBL_592893 (CHEMBL1048396)
Ki
7860±n/a nM
Citation
 Temperini, C; Innocenti, A; Scozzafava, A; Parkkila, S; Supuran, CT The coumarin-binding site in carbonic anhydrase accommodates structurally diverse inhibitors: the antiepileptic lacosamide as an example and lead molecule for novel classes of carbonic anhydrase inhibitors. J Med Chem 53:850-4 (2010) [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:
BDBM50300203
Synonyms:
(S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one | 6-(1S-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one | CHEMBL572366
Type:
Small organic molecule
Emp. Form.:
C15H18O4
Mol. Mass.:
262.301
SMILES:
COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r|
Structure:
Search PDB for entries with ligand similarity: