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Target
Carbonic anhydrase 1
Ligand
BDBM50570990
Substrate
n/a
Meas. Tech.
ChEMBL_2113526 (CHEMBL4822376)
Ki
692±n/a nM
Citation
 Buabeng, ER; Henary, M Developments of small molecules as inhibitors for carbonic anhydrase isoforms. Bioorg Med Chem 39:0 (2021) [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:
BDBM50570990
Synonyms:
CHEMBL4861966
Type:
Small organic molecule
Emp. Form.:
C22H17N3O3S
Mol. Mass.:
403.454
SMILES:
NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccccc2)N=C1c1ccccc1 |c:23|
Structure:
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