Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50163865
Substrate
n/a
Meas. Tech.
ChEMBL_1673905 (CHEMBL4023934)
KOFF
0.01 s-1
Citation
 Linkuvien?, V; Talibov, VO; Danielson, UH; Matulis, D Introduction of Intrinsic Kinetics of Protein-Ligand Interactions and Their Implications for Drug Design. J Med Chem 61:2292-2302 (2018) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 1
Synonyms:
4.2.1.1 | CA-I | CA1 | CAH1_MACMU | Carbonate dehydratase I | Carbonic anhydrase 1 | Carbonic anhydrase I
Type:
PROTEIN
Mol. Mass.:
28941.00
Organism:
Macaca mulatta
Description:
ChEMBL_117334
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSEAKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSSNEYGSEHTVDGVKYSSELHIVHWNSAKYSSLAEAVSKADGLAVIGVLMKVGEANPKLQKVLDALHAIKTKGKRAPFTNFDPSTLLPSSLDFWTYSGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGSNPVPIQRNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50163865
Synonyms:
CHEMBL3799577 | carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 14
Type:
Small organic molecule
Emp. Form.:
C15H15F3N2O4S2
Mol. Mass.:
408.416
SMILES:
CNc1c(F)c(c(F)c(F)c1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: