Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM11636
Substrate
n/a
Meas. Tech.
ChEBML_47520
Ki
10±n/a nM
Citation
 Abbate, F; Casini, A; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: X-ray crystallographic structure of the adduct of human isozyme II with a topically acting antiglaucoma sulfonamide. Bioorg Med Chem Lett 14:2357-61 (2004) [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:
BDBM11636
Synonyms:
CHEMBL309431 | N-[2-(diethylamino)ethyl]-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide | Sulfonamide 3
Type:
Small organic molecule
Emp. Form.:
C15H22N6O5S3
Mol. Mass.:
462.567
SMILES:
CCN(CC)CCNC(=O)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: