Reaction Details Report a problem with these data
Target
Carbonic anhydrase 7
Ligand
BDBM50230197
Substrate
n/a
Meas. Tech.
ChEMBL_1644698 (CHEMBL3993627)
Ki
>100±n/a nM
Citation
 Bua, S; Di Cesare Mannelli, L; Vullo, D; Ghelardini, C; Bartolucci, G; Scozzafava, A; Supuran, CT; Carta, F Design and Synthesis of Novel Nonsteroidal Anti-Inflammatory Drugs and Carbonic Anhydrase Inhibitors Hybrids (NSAIDs-CAIs) for the Treatment of Rheumatoid Arthritis. J Med Chem 60:1159-1170 (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:
BDBM50230197
Synonyms:
CHEMBL4060402
Type:
Small organic molecule
Emp. Form.:
C26H22N2O5
Mol. Mass.:
442.4633
SMILES:
O=C(NCCOc1ccc2oc(=O)ccc2c1)C1CCn2c1ccc2C(=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: