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Target
Carbonic anhydrase 1
Ligand
BDBM50211588
Substrate
n/a
Meas. Tech.
ChEMBL_1636647 (CHEMBL3879545)
Ki
50±n/a nM
Citation
 Altug, C; Günes, H; Nocentini, A; Monti, SM; Buonanno, M; Supuran, CT Synthesis of isoxazole-containing sulfonamides with potent carbonic anhydrase II and VII inhibitory properties. Bioorg Med Chem 25:1456-1464 (2017) [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:
BDBM50211588
Synonyms:
CHEMBL3894919
Type:
Small organic molecule
Emp. Form.:
C16H12Cl2N4O4S
Mol. Mass.:
427.262
SMILES:
Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl |(13.16,-14.5,;14.63,-14.96,;15.1,-16.42,;16.64,-16.42,;17.11,-14.95,;15.86,-14.06,;15.86,-12.52,;17.19,-11.75,;14.53,-11.76,;14.52,-10.22,;15.85,-9.45,;15.85,-7.91,;14.52,-7.14,;13.19,-7.91,;13.19,-9.45,;14.51,-5.6,;15.86,-4.83,;12.96,-5.6,;13.73,-4.26,;18.65,-14.95,;19.42,-13.62,;18.63,-12.28,;20.96,-13.61,;21.74,-14.95,;20.97,-16.29,;19.43,-16.29,;18.65,-17.63,)|
Structure:
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