Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50130030
Substrate
n/a
Meas. Tech.
ChEMBL_1524260 (CHEMBL3631736)
Ki
29620±n/a nM
Citation
 Fidan, I; Salmas, RE; Arslan, M; Sentürk, M; Durdagi, S; Ekinci, D; Sentürk, E; Cosgun, S; Supuran, CT Carbonic anhydrase inhibitors: Design, synthesis, kinetic, docking and molecular dynamics analysis of novel glycine and phenylalanine sulfonamide derivatives. Bioorg Med Chem 23:7353-8 (2015) [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:
BDBM50130030
Synonyms:
CHEMBL1885780
Type:
Small organic molecule
Emp. Form.:
C16H17NO4S
Mol. Mass.:
319.375
SMILES:
Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: