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Target
Carbonic anhydrase 1
Ligand
BDBM50176457
Substrate
n/a
Meas. Tech.
ChEMBL_1579079 (CHEMBL3811427)
Ki
702±n/a nM
Citation
 Abdel Gawad, NM; Amin, NH; Elsaadi, MT; Mohamed, FMM; Angeli, A; De Luca, V; Capasso, C; Supuran, CT Synthesis of 4-(thiazol-2-ylamino)-benzenesulfonamides with carbonic anhydrase I, II and IX inhibitory activity and cytotoxic effects against breast cancer cell lines. Bioorg Med Chem 24:3043-3051 (2016) [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:
Human
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50176457
Synonyms:
CHEMBL3808852
Type:
Small organic molecule
Emp. Form.:
C25H19ClN6O3S2
Mol. Mass.:
551.04
SMILES:
NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)\C(=C\c4ccc(Cl)cc4)N=C3c3ccccc3)cs2)cc1 |c:26|
Structure:
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