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Target
Carbonic anhydrase 1
Ligand
BDBM54586
Substrate
n/a
Meas. Tech.
ChEMBL_2191895 (CHEMBL5104255)
Ki
28±n/a nM
Citation
 Kumar, S; Rulhania, S; Jaswal, S; Monga, V Recent advances in the medicinal chemistry of carbonic anhydrase inhibitors. Eur J Med Chem 209:0 (2021) [PubMed] 
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:
BDBM54586
Synonyms:
4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide | 4-[5-(3,4-dimethoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]benzenesulfonamide | UNM-0000305823 | cid_2971684
Type:
Small organic molecule
Emp. Form.:
C23H23N3O4S
Mol. Mass.:
437.511
SMILES:
COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:13|
Structure:
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