Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50552008
Substrate
n/a
Meas. Tech.
ChEMBL_2032946 (CHEMBL4687104)
IC50
65±n/a nM
Citation
 Sa?l?k, BN; Osmaniye, D; Çevik, UA; Levent, S; Çavu?o?lu, BK; Büyükemir, O; Nezir, D; Karaduman, AB; Özkay, Y; Koparal, AS; Beydemir, ?; Kaplanc?kl?, ZA Synthesis, characterization and carbonic anhydrase I and II inhibitory evaluation of new sulfonamide derivatives bearing dithiocarbamate. Eur J Med Chem 198:0 (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:
BDBM50552008
Synonyms:
CHEMBL4750069
Type:
Small organic molecule
Emp. Form.:
C17H20N6O3S3
Mol. Mass.:
452.574
SMILES:
NS(=O)(=O)c1ccc(NC(=O)CSC(=S)N2CCN(CC2)c2ncccn2)cc1
Structure:
Search PDB for entries with ligand similarity: