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Target
Carbonic anhydrase 1
Ligand
BDBM50258587
Substrate
n/a
Meas. Tech.
ChEMBL_519734 (CHEMBL938997)
Ki
6.5±n/a nM
Citation
 Güzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Discovery of low nanomolar and subnanomolar inhibitors of the mycobacterial beta-carbonic anhydrases Rv1284 and Rv3273. J Med Chem 52:4063-7 (2009) [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:
BDBM50258587
Synonyms:
1-(([5-(Aminosulfonyl)-3-phenyl-1H-indol-2-yl]carbonyl)amino)-2,4,6-trimethylpyridinium Perchlorate | 2,4,6-trimethyl-1-(3-phenyl-5-sulfamoyl-1H-indole-2-carboxamido)pyridinium perchlorate | CHEMBL466832
Type:
Small organic molecule
Emp. Form.:
C23H23N4O3S
Mol. Mass.:
435.518
SMILES:
Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2)S(N)(=O)=O)c(C)c1
Structure:
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