Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50094831
Substrate
n/a
Meas. Tech.
ChEMBL_47517 (CHEMBL657827)
Ki
23±n/a nM
Citation
 Casini, A; Scozzafava, A; Mincione, F; Menabuoni, L; Ilies, MA; Supuran, CT Carbonic anhydrase inhibitors: water-soluble 4-sulfamoylphenylthioureas as topical intraocular pressure-lowering agents with long-lasting effects. J Med Chem 43:4884-92 (2000) [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:
Human
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50094831
Synonyms:
3-(1H-Imidazol-4-yl)-2-{3-[3-(4-sulfamoyl-phenyl)-thioureido]-propionylamino}-propionic acid | CHEMBL144352
Type:
Small organic molecule
Emp. Form.:
C16H20N6O5S2
Mol. Mass.:
440.497
SMILES:
NS(=O)(=O)c1ccc(NC(=S)NCCC(=O)NC(Cc2cnc[nH]2)C(O)=O)cc1
Structure:
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