Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50303032
Substrate
n/a
Meas. Tech.
ChEMBL_597000 (CHEMBL1039096)
Ki
410±n/a nM
Citation
 Steele, RM; Benedini, F; Biondi, S; Borghi, V; Carzaniga, L; Impagnatiello, F; Miglietta, D; Chong, WK; Rajapakse, R; Cecchi, A; Temperini, C; Supuran, CT Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma. Bioorg Med Chem Lett 19:6565-70 (2009) [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:
BDBM50303032
Synonyms:
CHEMBL584939 | Ethyl-((4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-4-yl)-carbamic acid 3-nitrooxy-propyl ester
Type:
Small organic molecule
Emp. Form.:
C14H21N3O9S3
Mol. Mass.:
471.526
SMILES:
CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)OCCCO[N+]([O-])=O |r|
Structure:
Search PDB for entries with ligand similarity: