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Target
Carbonic anhydrase 1
Ligand
BDBM11054
Substrate
n/a
Meas. Tech.
ChEMBL_531441 (CHEMBL967622)
Ki
4265±n/a nM
Citation
 Thiry, A; Supuran, CT; Masereel, B; Dogné, JM Recent developments of carbonic anhydrase inhibitors as potential anticancer drugs. J Med Chem 51:3051-6 (2008) [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:
BDBM11054
Synonyms:
CHEMBL353498 | N-[2-(4-sulfamoylphenyl)ethyl]-2-[(2-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)disulfanyl]benzamide | disulfide-containing sulfonamide 5b
Type:
Small organic molecule
Emp. Form.:
C30H30N4O6S4
Mol. Mass.:
670.842
SMILES:
NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2SSc2ccccc2C(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Structure:
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