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Target
Carbonic anhydrase 1
Ligand
BDBM50171020
Substrate
n/a
Meas. Tech.
ChEMBL_302924 (CHEMBL830383)
Ki
24±n/a nM
Citation
 Mincione, F; Starnotti, M; Masini, E; Bacciottini, L; Scrivanti, C; Casini, A; Vullo, D; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: design of thioureido sulfonamides with potent isozyme II and XII inhibitory properties and intraocular pressure lowering activity in a rabbit model of glaucoma. Bioorg Med Chem Lett 15:3821-7 (2005) [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:
BDBM50171020
Synonyms:
CHEMBL181082 | N-{2-[4-(aminosulfonyl)phenyl]ethyl}-2-[(1R)-1-formyl-2-mercaptoethyl]hydrazinecarbothioamide
Type:
Small organic molecule
Emp. Form.:
C12H18N4O3S3
Mol. Mass.:
362.491
SMILES:
NC(CS)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Structure:
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