Reaction Details | |||
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Target | Carbonic anhydrase 1 | ||
Ligand | BDBM50134329 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_44852 (CHEMBL653166) | ||
Ki | 37±n/a nM | ||
Citation | Winum, JY; Vullo, D; Casini, A; Montero, JL; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors. Inhibition of cytosolic isozymes I and II and transmembrane, tumor-associated isozyme IX with sulfamates including EMATE also acting as steroid sulfatase inhibitors. J Med Chem46:2197-204 (2003) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Carbonic anhydrase 1 | |||
Name: | Carbonic anhydrase 1 | ||
Synonyms: | CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA | ||
Type: | Enzyme | ||
Mol. Mass.: | 28873.37 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P00915 | ||
Residue: | 261 | ||
Sequence: |
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BDBM50134329 | |||
n/a | |||
Name | BDBM50134329 | ||
Synonyms: | CHEMBL122708 | Sulfamic acid (11R,12S,15S,16S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl ester | Sulfamic acid (8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl ester | estra-1,3,5(10)-trien-17-one-3-sulphamate | estrone3-O-sulfamate | ||
Type | Small organic molecule | ||
Emp. Form. | C18H23NO4S | ||
Mol. Mass. | 349.445 | ||
SMILES | C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O | ||
Structure |