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Target
Carbonic anhydrase 1
Ligand
BDBM11030
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
810±n/a nM
Citation
 Thiry, A; Ledecq, M; Cecchi, A; Dogne, JM; Wouters, J; Supuran, CT; Masereel, B Indanesulfonamides as carbonic anhydrase inhibitors. Toward structure-based design of selective inhibitors of the tumor-associated isozyme CA IX. J Med Chem 49:2743-9 (2006) [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:
BDBM11030
Synonyms:
1-valproylamido-5-sulfonamidoindane | 2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)pentanamide | CHEMBL204941 | Indanesulfonamide Derivative 11a
Type:
Small organic molecule
Emp. Form.:
C17H26N2O3S
Mol. Mass.:
338.465
SMILES:
CCCC(CCC)C(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM10856
Synonyms:
Carbon Dioxide | methanedione
Type:
Small organic molecule
Emp. Form.:
CO2
Mol. Mass.:
44.0095
SMILES:
O=C=O
Structure:
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