Ligand Id: 2451
Ligand name NAD

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 20
Hydrogen bond donors 7
Rotatable bonds 11
Topological polar surface area 340.71
Molecular weight 663.11
XLogP -5.46
No. Lipinski's rules broken 3

Molecular properties generated using the CDK


Summary Biological activity References Structure Similar ligands Suppliers
Classification
Compound class Metabolite or derivative
IUPAC Name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Synonyms
NAD+
Database Links
CAS Registry No. 53-84-9 (source: Scifinder)
ChEBI CHEBI:44215
ChEMBL Ligand 113661, 155883
Human Metabolome Database HMDB00902
PubChem CID 5892
RCSB PDB Ligand NAJ, NAH, NAD
Search Google for chemical match using the InChIKey BAWFJGJZGIEFAR-NNYOXOHSSA-N
Search Google for chemicals with the same backbone BAWFJGJZGIEFAR
Wikipedia Nicotinamide_adenine_dinucleotide
ZINC ZINC08214766

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