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Target
Carbonic anhydrase 1
Ligand
BDBM50054651
Substrate
n/a
Meas. Tech.
ChEMBL_1453078 (CHEMBL3362527)
Ki
41±n/a nM
Citation
 Pichake, J; Kharkar, PS; Ceruso, M; Supuran, CT; Toraskar, MP Carbonic anhydrase inhibitors: design, synthesis, and biological evaluation of novel sulfonyl semicarbazide derivatives. ACS Med Chem Lett 5:793-6 (2014) [PubMed]  Article
Target
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:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50054651
Synonyms:
CHEMBL3323213
Type:
Small organic molecule
Emp. Form.:
C15H17N5O6S2
Mol. Mass.:
427.455
SMILES:
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O
Structure:
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