Reaction Details Report a problem with these data
Target
Carbonic anhydrase 7
Ligand
BDBM50517090
Substrate
n/a
Meas. Tech.
ChEMBL_1867317 (CHEMBL4368292)
Ki
585±n/a nM
Citation
 Bozdag, M; Ferraroni, M; Ward, C; Carta, F; Bua, S; Angeli, A; Langdon, SP; Kunkler, IH; Al-Tamimi, AS; Supuran, CT Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells. Eur J Med Chem 182:0 (2019) [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:
BDBM50517090
Synonyms:
CHEMBL4578946
Type:
Small organic molecule
Emp. Form.:
C27H28ClF3N4O5S
Mol. Mass.:
613.048
SMILES:
NS(=O)(=O)c1ccc(OCCCCCCNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc1
Structure:
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