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Target
Carbonic anhydrase 1
Ligand
BDBM50552013
Substrate
n/a
Meas. Tech.
ChEMBL_2032948 (CHEMBL4687106)
Ki
64770±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:
BDBM50552013
Synonyms:
CHEMBL4761403
Type:
Small organic molecule
Emp. Form.:
C21H26N4O4S3
Mol. Mass.:
494.651
SMILES:
COc1ccc(CN2CCN(CC2)C(=S)SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Structure:
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