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Target
Carbonic anhydrase 1
Ligand
BDBM50556088
Substrate
n/a
Meas. Tech.
ChEMBL_2054801 (CHEMBL4709802)
Ki
1340±n/a nM
Citation
 Alkhaldi, AAM; Al-Sanea, MM; Nocentini, A; Eldehna, WM; Elsayed, ZM; Bonardi, A; Abo-Ashour, MF; El-Damasy, AK; Abdel-Maksoud, MS; Al-Warhi, T; Gratteri, P; Abdel-Aziz, HA; Supuran, CT; El-Haggar, R 3-Methylthiazolo[3,2-a]benzimidazole-benzenesulfonamide conjugates as novel carbonic anhydrase inhibitors endowed with anticancer activity: Design, synthesis, biological and molecular modeling studies. Eur J Med Chem 207:0 (2020) [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:
BDBM50556088
Synonyms:
CHEMBL4758959
Type:
Small organic molecule
Emp. Form.:
C20H18N4O3S2
Mol. Mass.:
426.512
SMILES:
Cc1c(sc2nc3ccccc3n12)C(=O)\C=C\Nc1ccc(C)c(c1)S(N)(=O)=O
Structure:
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