Reaction Details Report a problem with these data
Target
Carbonic anhydrase 7
Ligand
BDBM50211602
Substrate
n/a
Meas. Tech.
ChEMBL_1636650 (CHEMBL3879548)
Ki
67±n/a nM
Citation
 Altug, C; Günes, H; Nocentini, A; Monti, SM; Buonanno, M; Supuran, CT Synthesis of isoxazole-containing sulfonamides with potent carbonic anhydrase II and VII inhibitory properties. Bioorg Med Chem 25:1456-1464 (2017) [PubMed]  Article 
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:
BDBM50211602
Synonyms:
CHEMBL3918052
Type:
Small organic molecule
Emp. Form.:
C24H18Cl2N4O6S
Mol. Mass.:
561.394
SMILES:
COc1ccc(cc1)C(=O)Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl |(4.95,-14.93,;6.1,-13.89,;7.57,-14.35,;8.72,-13.3,;10.19,-13.77,;10.52,-15.28,;9.39,-16.33,;7.91,-15.87,;11.99,-15.75,;12.32,-17.26,;13.14,-14.71,;14.6,-15.17,;15.08,-16.63,;16.62,-16.63,;17.08,-15.16,;15.84,-14.27,;15.83,-12.74,;17.16,-11.97,;14.5,-11.97,;14.5,-10.44,;15.83,-9.66,;15.82,-8.13,;14.49,-7.37,;13.17,-8.14,;13.17,-9.67,;14.49,-5.83,;15.83,-5.06,;12.94,-5.83,;13.71,-4.49,;18.62,-15.16,;19.38,-13.83,;18.6,-12.49,;20.92,-13.82,;21.7,-15.16,;20.94,-16.49,;19.39,-16.5,;18.62,-17.84,)|
Structure:
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