Reaction Details Report a problem with these data
Target
Carbonic anhydrase 7
Ligand
BDBM50341582
Substrate
n/a
Meas. Tech.
ChEMBL_743885 (CHEMBL1767828)
Ki
6.4±n/a nM
Citation
Mader, P; Brynda, J; Gitto, R; Agnello, S; Pachl, P; Supuran, CT; Chimirri, A; Řezáčová, P Structural basis for the interaction between carbonic anhydrase and 1,2,3,4-tetrahydroisoquinolin-2-ylsulfonamides. J Med Chem 54:2522-6 (2011) [PubMed] Article
More Info.:
Target
Name:
Carbonic anhydrase 7
Synonyms:
CA-VII | CA7 | CAH7_HUMAN | Carbonate dehydratase VII | Carbonic anhydrase | Carbonic anhydrase VII | Carbonic anhydrase VII (CA VII)
Type:
Enzyme
Mol. Mass.:
29664.11
Organism:
Homo sapiens (Human)
Description:
Human cloned isozyme.
Residue:
264
Sequence:
MTGHHGWGYGQDDGPSHWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELSYEACMSLSITNNGHSVQVDFNDSDDRTVVTGGPLEGPYRLKQFHFHWGKKHDVGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAASAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKGTKAQFSCFNPKCLLPASRHYWTYPGSLTTPPLSESVTWIVLREPICISERQMGKFRSLLFTSEDDERIHMVNNFRPPQPLKGRVVKASFRA
Inhibitor
Name:
BDBM50341582
Synonyms:
6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide | 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ylsulfonamide | CHEMBL1089045
Type:
Small organic molecule
Emp. Form.:
C12H18N2O4S
Mol. Mass.:
286.347
SMILES:
COc1cc2CCN(C(C)c2cc1OC)S(N)(=O)=O