Reaction Details Report a problem with these data
Target
Carbonic anhydrase, alpha family
Ligand
BDBM10869
Substrate
n/a
Meas. Tech.
ChEMBL_1543854 (CHEMBL3749744)
Ki
4.8±n/a nM
Citation
 Vullo, D; Bhatt, A; Mahon, BP; McKenna, R; Supuran, CT Sulfonamide inhibition studies of thea-carbonic anhydrase from the gammaproteobacterium Thiomicrospira crunogena XCL-2, TcruCA. Bioorg Med Chem Lett 26:401-5 (2016) [PubMed]  Article 
Target
Name:
Carbonic anhydrase, alpha family
Synonyms:
Carbonic anhydrase, alpha family
Type:
PROTEIN
Mol. Mass.:
35831.01
Organism:
Thiomicrospira crunogena (strain XCL-2)
Description:
ChEMBL_109899
Residue:
315
Sequence:
MKKRFSFIFIFLVALPLYSANNVAAPLIDLGAEAKKQAQKSAATQSAVPEKESATKVAEKQKEPEEKAKPEPKKPPHWGYFGEEGPQYWGELAPEFSTCKTGKNQSPINLKPQTAVGTTSLPGFDVYYRETALKLINNGHTLQVNIPLGSYIKINGHRYELLQYHFHTPSEHQRDGFNYPMEMHLVHKDGDGNLAVIAILFQEGEENETLAKLMSFLPQTLKKQEIHESVKIHPAKFFPADKKFYKYSGSLTTPPCSEGVYWMVFKQPIQASVTQLEKMHEYLGSNARPVQRQNARTLLKSWPDRNRANTVYEFY
  
Inhibitor
Name:
BDBM10869
Synonyms:
5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide | CHEMBL6753 | aromatic/heteroaromatic sulfonamide 14
Type:
Small organic molecule
Emp. Form.:
C3H6N4O2S2
Mol. Mass.:
194.235
SMILES:
Cn1nc(sc1=N)S(N)(=O)=O
Structure:
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