Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50316592
Substrate
n/a
Meas. Tech.
ChEMBL_631486 (CHEMBL1114720)
Ki
13600000±n/a nM
Citation
 Ekinci, D; Cavdar, H; Talaz, O; Sentürk, M; Supuran, CT NO-releasing esters show carbonic anhydrase inhibitory action against human isoforms I and II. Bioorg Med Chem 18:3559-63 (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:
BDBM50316592
Synonyms:
(2R(S),7R(S))-7-Hydroxybicyclo[2.2.1]heptan-2-yl nitrate | CHEMBL1094857
Type:
Small organic molecule
Emp. Form.:
C7H11NO4
Mol. Mass.:
173.1665
SMILES:
O[C@@H]1C2CCC1[C@@H](C2)O[N+]([O-])=O |r,THB:0:1:4.3:7.6|
Structure:
Search PDB for entries with ligand similarity: