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Target
Carbonic anhydrase 1
Ligand
BDBM50221269
Substrate
n/a
Meas. Tech.
ChEMBL_449547 (CHEMBL899813)
Ki
4340±n/a nM
Citation
 Abdel-Hamid, MK; Abdel-Hafez, AA; El-Koussi, NA; Mahfouz, NM; Innocenti, A; Supuran, CT Design, synthesis, and docking studies of new 1,3,4-thiadiazole-2-thione derivatives with carbonic anhydrase inhibitory activity. Bioorg Med Chem 15:6975-84 (2007) [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:
BDBM50221269
Synonyms:
4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[alpha,alpha-diphenyl methylene]semicarbazide | CHEMBL235708
Type:
Small organic molecule
Emp. Form.:
C16H13N5OS2
Mol. Mass.:
355.437
SMILES:
[#16]-c1nnc(-[#7]-[#6](=O)-[#7]\[#7]=[#6](\c2ccccc2)-c2ccccc2)s1
Structure:
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