Reaction Details Report a problem with these data
Target
Carbonic anhydrase 7
Ligand
BDBM50515850
Substrate
n/a
Meas. Tech.
ChEMBL_1862730 (CHEMBL4363586)
Ki
96±n/a nM
Citation
 Kalinin, S; Nocentini, A; Kovalenko, A; Sharoyko, V; Bonardi, A; Angeli, A; Gratteri, P; Tennikova, TB; Supuran, CT; Krasavin, M From random to rational: A discovery approach to selective subnanomolar inhibitors of human carbonic anhydrase IV based on the Castagnoli-Cushman multicomponent reaction. 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:
BDBM50515850
Synonyms:
CHEMBL4543874
Type:
Small organic molecule
Emp. Form.:
C21H22ClN3O4S
Mol. Mass.:
447.935
SMILES:
NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)N1CCCC1)c1ccc(Cl)cc1 |r|
Structure:
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