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Target
Carbonic anhydrase 1
Ligand
BDBM50352643
Substrate
n/a
Meas. Tech.
ChEMBL_766478 (CHEMBL1826743)
pH
7.5±n/a
Ki
512±n/a nM
Comments
extracted
Citation
 Rami, M; Innocenti, A; Montero, JL; Scozzafava, A; Winum, JY; Supuran, CT Synthesis of rhodamine B-benzenesulfonamide conjugates and their inhibitory activity against humana- and bacterial/fungalß-carbonic anhydrases. Bioorg Med Chem Lett 21:5210-3 (2011) [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:
BDBM50352643
Synonyms:
CHEMBL1822699
Type:
Small organic molecule
Emp. Form.:
C34H36N4O4S
Mol. Mass.:
596.739
SMILES:
CCN(CC)c1ccc2c(Oc3cc(ccc3C22N(C(=O)c3ccccc23)c2ccc(cc2)S(N)(=O)=O)N(CC)CC)c1
Structure:
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