Target
Carbonic anhydrase 1
Ligand
BDBM50300203
Substrate
n/a
Meas. Tech.
ChEMBL_592883 (CHEMBL1046628)
Ki
78±n/a nM
Citation
 Temperini, CInnocenti, AScozzafava, AParkkila, SSupuran, 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 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:
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: