Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50556835
Substrate
n/a
Meas. Tech.
ChEMBL_2057465 (CHEMBL4712466)
Ki
85±n/a nM
Citation
 Akgul, O; Singh, S; Andring, JT; McKenna, R; Selleri, S; Carta, F; Angeli, A; Supuran, CT Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur J Med Chem 212:0 (2021) [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:
BDBM50556835
Synonyms:
CHEMBL4740821
Type:
Small organic molecule
Emp. Form.:
C17H22N4O5S2
Mol. Mass.:
426.51
SMILES:
CCc1ccc(NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: