CodeNAI
NameNADH
SynonymsNicotinamide-adenine dinucleotide, reduced
Identifier
FormulaC21 H29 N7 O14 P2
Molecular Weight665.441
SMILES
PubChem439153
Formal Charge0
Total Atoms73
Total Chiral Atoms10
Total Bonds77
Total Aromatic Bonds10
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
9J0F A Nucleotide P2Y P2Y14 Homo sapiens NADH - Gi1/Beta1/Gamma2 2.76 2025-06-04 doi.org/10.1038/s41421-025-00799-9

A 2D representation of the interactions of NAI in 9J0F
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
L:L:?1 R:R:T21 3.45 1 Yes No 0 4 0 1
L:L:?1 R:R:K77 7.26 1 Yes Yes 0 7 0 1
L:L:?1 R:R:D81 8.89 1 Yes No 0 5 0 1
L:L:?1 R:R:A98 4.42 1 Yes No 0 6 0 1
L:L:?1 R:R:V99 7.67 1 Yes No 0 6 0 1
L:L:?1 R:R:Y102 23.03 1 Yes Yes 0 5 0 1
L:L:?1 R:R:N156 14.77 1 Yes No 0 5 0 1
L:L:?1 R:R:C172 9.65 1 Yes No 0 9 0 1
L:L:?1 R:R:K176 3.96 1 Yes Yes 0 4 0 1
L:L:?1 R:R:H184 6.62 1 Yes Yes 0 3 0 1
L:L:?1 R:R:N188 5.78 1 Yes Yes 0 4 0 1
L:L:?1 R:R:F191 5.13 1 Yes Yes 0 5 0 1
L:L:?1 R:R:R253 5.11 1 Yes Yes 0 6 0 1
L:L:?1 R:R:Y256 4.94 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Q260 7.47 1 Yes Yes 0 3 0 1
L:L:?1 R:R:R274 8.52 1 Yes Yes 0 3 0 1
L:L:?1 R:R:K277 7.26 1 Yes Yes 0 5 0 1
L:L:?1 R:R:E278 8.06 1 Yes No 0 5 0 1
R:R:I20 R:R:T21 4.56 0 Yes No 4 4 2 1
R:R:R274 R:R:T21 6.47 1 Yes No 3 4 1 1
R:R:D81 R:R:P26 6.44 1 No No 5 5 1 2
R:R:K77 R:R:Y29 20.3 1 Yes No 7 8 1 2
R:R:L281 R:R:Y29 3.52 1 Yes No 6 8 2 2
R:R:D81 R:R:K77 13.83 1 No Yes 5 7 1 1
R:R:E278 R:R:K77 4.05 1 No Yes 5 7 1 1
R:R:C172 R:R:C94 7.28 0 No No 9 9 1 2
R:R:F101 R:R:Y102 5.16 1 Yes Yes 7 5 2 1
R:R:F101 R:R:L281 8.53 1 Yes Yes 7 6 2 2
R:R:Y102 R:R:Y249 4.96 1 Yes Yes 5 7 1 2
R:R:K277 R:R:Y102 4.78 1 Yes Yes 5 5 1 1
R:R:L281 R:R:Y102 10.55 1 Yes Yes 6 5 2 1
R:R:F191 R:R:Y106 22.69 0 Yes Yes 5 8 1 2
R:R:Y106 R:R:Y249 3.97 1 Yes Yes 8 7 2 2
R:R:F191 R:R:M149 6.22 0 Yes No 5 8 1 2
R:R:F191 R:R:L152 9.74 0 Yes No 5 5 1 2
R:R:N156 R:R:W183 4.52 1 No Yes 5 2 1 2
R:R:N156 R:R:S187 8.94 1 No No 5 4 1 2
R:R:K176 R:R:T160 9.01 1 Yes No 4 5 1 2
R:R:I173 R:R:K171 4.36 1 Yes No 4 3 2 2
R:R:K171 R:R:Y256 4.78 0 No Yes 3 5 2 1
R:R:I173 R:R:K176 4.36 1 Yes Yes 4 4 2 1
R:R:H184 R:R:I173 6.63 1 Yes Yes 3 4 1 2
R:R:I173 R:R:Q260 12.35 1 Yes Yes 4 3 2 1
R:R:G180 R:R:K176 3.49 0 No Yes 3 4 2 1
R:R:H184 R:R:K176 10.48 1 Yes Yes 3 4 1 1
R:R:S187 R:R:W183 8.65 1 No Yes 4 2 2 2
R:R:H184 R:R:N188 7.65 1 Yes Yes 3 4 1 1
R:R:H184 R:R:Q260 7.42 1 Yes Yes 3 3 1 1
R:R:N188 R:R:R253 13.26 1 Yes Yes 4 6 1 1
R:R:N188 R:R:T257 14.62 1 Yes No 4 5 1 2
R:R:R253 R:R:Y249 16.46 1 Yes Yes 6 7 1 2
R:R:L281 R:R:Y249 10.55 1 Yes Yes 6 7 2 2
R:R:R253 R:R:Y256 6.17 1 Yes Yes 6 5 1 1
R:R:R253 R:R:T257 6.47 1 Yes No 6 5 1 2
R:R:Q260 R:R:R253 4.67 1 Yes Yes 3 6 1 1
R:R:K277 R:R:R253 4.95 1 Yes Yes 5 6 1 1
R:R:Q260 R:R:Y256 15.78 1 Yes Yes 3 5 1 1
R:R:R274 R:R:Y256 6.17 1 Yes Yes 3 5 1 1
R:R:K277 R:R:Y256 20.3 1 Yes Yes 5 5 1 1
R:R:E278 R:R:K277 6.75 1 No Yes 5 5 1 1
R:R:R274 R:R:Y275 3.09 1 Yes No 3 2 1 2
R:R:I157 R:R:V99 3.07 0 No No 5 6 2 1
StatisticsValue
Average Number Of Links18.00
Average Number Of Links With An Hub11.00
Average Interaction Strength7.89
Average Nodes In Shell38.00
Average Hubs In Shell19.00
Average Links In Shell62.00
Average Links Mediated by Hubs In Shell58.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links17.50
Average Number Of Links With An Hub11.00
Average Interaction Strength8.02
Average Nodes In Shell37.50
Average Hubs In Shell18.00
Average Links In Shell60.50
Average Links Mediated by Hubs In Shell56.50

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)