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Target
Carbonic anhydrase 1
Ligand
BDBM50230943
Substrate
n/a
Meas. Tech.
ChEMBL_1644985 (CHEMBL3993914)
Ki
6149±n/a nM
Citation
 Eldehna, WM; Al-Ansary, GH; Bua, S; Nocentini, A; Gratteri, P; Altoukhy, A; Ghabbour, H; Ahmed, HY; Supuran, CT Novel indolin-2-one-based sulfonamides as carbonic anhydrase inhibitors: Synthesis, in vitro biological evaluation against carbonic anhydrases isoforms I, II, IV and VII and molecular docking studies. Eur J Med Chem 127:521-530 (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:
BDBM50230943
Synonyms:
CHEMBL4080175
Type:
Small organic molecule
Emp. Form.:
C23H20BrN3O3S
Mol. Mass.:
498.392
SMILES:
NS(=O)(=O)c1ccc(CC\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc23)cc1
Structure:
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