Nicotinamide
Function
DrugBank ID:
Description:
An important compound functioning as a component of the coenzyme NAD. Its primary significance is in the prevention and/or cure of blacktongue and pellagra. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented through dietary intake. [DrugBank]
Targets:
Exotoxin A (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)); L-lactate dehydrogenase A chain (Humans); Poly [ADP-ribose] polymerase 1 (Humans); NAD-dependent protein deacylase sirtuin-5, mitochondrial (Humans); ADP-ribosyl cyclase 2 (Humans) [DrugBank]
Pharmacodynamics:
Not Available [DrugBank]
Structures
Docking in target protein
Off-target analysis based on ligand similarity (Homo sapiens)
Step 1 - Target prediction for Nicotinamide: SwissTargetPrediction
Tips: Click on the link to jump to the 'SwissTargetPrediction' webserver. Select the species of 'Homo sapiens', and then paste the SMILES of Nicotinamide in the SMILES input box.
Step 2 - Blind docking for Nicotinamide: CB-Dock
Tips: Click on the link to jump to the 'CB-Dock' webserver. Upload the structure file of target predicted by 'SwissTargetPrediction' and the 2D/3D structure file of Nicotinamide to perform blind docking.