Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50180263
Substrate
n/a
Meas. Tech.
ChEMBL_1583576 (CHEMBL3815663)
Ki
40±n/a nM
Citation
 Ulus, R; Aday, B; Tanç, M; Supuran, CT; Kaya, M Microwave assisted synthesis of novel acridine-acetazolamide conjugates and investigation of their inhibition effects on human carbonic anhydrase isoforms hCA I, II, IV and VII. Bioorg Med Chem 24:3548-55 (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:
Homo sapiens (Human)
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50180263
Synonyms:
CHEMBL3814420
Type:
Small organic molecule
Emp. Form.:
C29H27N5O5S2
Mol. Mass.:
589.685
SMILES:
Cc1ccc(cc1)C1C2=C(CCCC2=O)N(C2=C1C(=O)CCC2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:18,t:9|
Structure:
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