Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50163863
Substrate
n/a
Meas. Tech.
ChEMBL_1673905 (CHEMBL4023934)
KOFF
0.0075 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
More Info.:
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:
BDBM50163863
Synonyms:
4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide (2a) | CHEMBL3798446 | carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 2
Type:
Small organic molecule
Emp. Form.:
C15H12ClN3O3S
Mol. Mass.:
349.792
SMILES:
NS(=O)(=O)c1ccc(cc1Cl)C(=O)Cn1cnc2ccccc12