Target
NAD-dependent protein deacetylase
Ligand
BDBM50179360
Substrate
n/a
Meas. Tech.
ChEMBL_1750469 (CHEMBL4185229)
IC50
7000±n/a nM
Citation
 Hailu, GSRobaa, DForgione, MSippl, WRotili, DMai, A Lysine Deacetylase Inhibitors in Parasites: Past, Present, and Future Perspectives. J Med Chem 60:4780-4804 (2017) [PubMed]  Article 
Target
Name:
NAD-dependent protein deacetylase
Synonyms:
Putative silent information regulator 2 | SIR2-like protein | SIR2RP1
Type:
PROTEIN
Mol. Mass.:
40532.98
Organism:
Leishmania infantum
Description:
ChEMBL_936768
Residue:
373
Sequence:
MTASPRAPHQEHVLGEPTLEGLAHYIREKNVRRILVLVGAGASVAAGIPDFRSPDTGIYANLGKYNLEDPTDAFSLTLLREKPEIFYSIARELNLWPGHFQPTAVHHFIRLLQDEGRLLRCCTQNIDGLEKAAGVSPELLVEAHGSFAAAACIECHTPFSIEQNYLEAMSGTVSRCSTCGGIVKPNVVFFGENLPDAFFDALHHDAPIAELVIIIGTSMQVHPFALLPCVVPKSVPRVVMNRERVGGLLFRFPDDPLNTVHEDAVAKEGRSSSSQSRSPSASPRREEGGTEDSPSSPNEEVEEASTSSSSDGYGQYGDYHAHPDVCRDVLFRGDCQENVVTLAEYLGLSEALAKRMRLSDAAPATAQRAPNET
  
Inhibitor
Name:
BDBM50179360
Synonyms:
CHEMBL3040216
Type:
Small organic molecule
Emp. Form.:
C51H40N6O23S6
Mol. Mass.:
1297.28
SMILES:
CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
Structure:
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