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Target
Carbonic anhydrase 12
Ligand
BDBM50067998
Substrate
n/a
Meas. Tech.
ChEMBL_1466434 (CHEMBL3406379)
Ki
90±n/a nM
Citation
 Bozdag, M; Carta, F; Vullo, D; Akdemir, A; Isik, S; Lanzi, C; Scozzafava, A; Masini, E; Supuran, CT Synthesis of a new series of dithiocarbamates with effective human carbonic anhydrase inhibitory activity and antiglaucoma action. Bioorg Med Chem 23:2368-76 (2015) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 12
Synonyms:
CA-XII | CA12 | CAH12_HUMAN | Carbonate dehydratase XII | Carbonic anhydrase | Carbonic anhydrase 12 (CA XII) | Carbonic anhydrase XII | Carbonic anhydrase XII (CA XII) | Carbonic anhydrase XII (CAXII) | Tumor antigen HOM-RCC-3.1.3
Type:
Enzyme
Mol. Mass.:
39456.00
Organism:
Homo sapiens (Human)
Description:
Catalytic domain of human cloned isozyme was used in the assay
Residue:
354
Sequence:
MPRRSLHAAAVLLLVILKEQPSSPAPVNGSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQVQVCTAAGLSLGIILSLALAGILGICIVVVVSIWLFRRKSIKKGDNKGVIYKPATKMETEAHA
  
Inhibitor
Name:
BDBM50067998
Synonyms:
CHEMBL3400802
Type:
Small organic molecule
Emp. Form.:
C8H13N2NaS2
Mol. Mass.:
224.322
SMILES:
[Na+].[S-]C(=S)N[C@H]1CN2CCC1CC2 |r,wD:5.3,(7.42,-3.05,;-.25,-3.45,;-.23,-2.28,;-1.25,-1.68,;1.05,-1.55,;2.32,-2.3,;2.3,-3.84,;3.64,-4.61,;4.97,-3.83,;4.97,-2.27,;3.64,-1.5,;3.11,-2.61,;4.14,-3.23,)|
Structure:
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