Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Carbonic anhydrase 1 | ||
Ligand | BDBM50031576 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1440915 (CHEMBL3375179) | ||
Ki | 151±n/a nM | ||
Citation | Bozdag, M; Pinard, M; Carta, F; Masini, E; Scozzafava, A; McKenna, R; Supuran, CT A class of 4-sulfamoylphenyl-¿-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects. J Med Chem57:9673-86 (2014) [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: |
| ||
BDBM50031576 | |||
n/a | |||
Name | BDBM50031576 | ||
Synonyms: | CHEMBL3359178 | ||
Type | Small organic molecule | ||
Emp. Form. | C34H36ClN5O6S2 | ||
Mol. Mass. | 710.263 | ||
SMILES | [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCCCOc4ccc(cc4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(15.58,,;11.4,-1.72,;10.07,-2.49,;10.07,-4.03,;8.74,-1.72,;7.4,-2.49,;6.07,-1.72,;6.07,-.18,;4.73,.59,;3.4,-.18,;2.07,.59,;.73,-.18,;.73,-1.72,;-.6,-2.49,;-1.93,-1.72,;-1.93,-.18,;-3.27,-2.49,;-4.6,-1.72,;-5.93,-2.49,;-7.27,-1.72,;-8.6,-2.49,;-9.94,-1.72,;-9.94,-.18,;-11.27,.59,;-12.6,-.18,;-12.6,-1.72,;-11.27,-2.49,;-13.94,.59,;-13.17,1.93,;-15.27,1.36,;-14.71,-.74,;2.07,-2.49,;3.4,-1.72,;4.73,-2.49,;4.73,-4.03,;6.27,-2.65,;4.73,2.13,;3.4,2.9,;3.4,4.44,;4.73,5.21,;6.07,4.44,;6.07,2.9,;7.4,2.13,;7.4,.59,;8.74,-.18,;4.73,6.75,;6.07,7.52,;3.4,7.52,)| | ||
Structure |