Ligand
Ligand Name:   NAD⁺
Ligand Type:   non-polymer
Ligand ID:   COVPDB505 PubChem:   5893
Synonym(s):  
  •   nicotinamide adenine dinucleotide
  • nad+
  • beta-nad
  • nicotinamide dinucleotide
  • codehydrase i
  • coenzyme i
  • cozymase i
  • codehydrogenase i
  • nad(+)
  • diphosphopyridine nucleotide
  • nicotineamide adenine dinucleotide
  • enzopride
  • beta-diphosphopyridine nucleotide
  • 53-84-9
  • nad
  • adenine-nicotinamide dinucleotide
  • nadidum [inn-latin]
  • nadida [inn-spanish]
  • oxidized diphosphopyridine nucleotide
  • chebi:15846
  • nad trihydrate
  • nad-oxidized
  • nicotinamide-adenine dinucleotide
  • brn 3584133
  • [[(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 hydrogen phosphate
  • endopride
  • nicotinamide-adenine-dinucleotide
  • diphosphopyridine nucleotide oxidized
  • sr-05000001677
  • nicotinamide adenine dinucleotide oxidized
  • beta-nicotinamide adenine dinucleotide trihydrate
  • nadide [usan:ban:inn:jan]
  • nad cation
  • [[(2r,3s,4r,5r)-5-[(3r)-3-aminocarbonyl-3,4-dihydro-2h-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
  • naj
  • txe
  • spectrum_000973
  • nicotinamide adenine dinucleotide (nad+)
  • [[(2~{r},3~{s},4~{r},5~{r})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{e})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{h}-2,1
  • l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
  • 9jm
  • adenosine 5'-(trihydrogen diphosphate), p'-5'-ester with 3-(aminocarbonyl)-1-beta-d-ribofuranosylpyridinium, inner salt
  • prestwick3_000741
  • pyridinium, 3-carbamoyl-1-beta-d-ribofuranosyl-, hydroxide, 5'-ester with adenosine 5'-5'-(trihydrogen pyrophosphate), inner salt
  • spectrum2_001056
  • spectrum3_000511
  • spectrum4_000065
  • spectrum5_001291
  • [adenylate-32-p]-nad
  • bmse000053
  • nadide (jan/usan/inn)
  • bspbio_000722
  • bspbio_002061
  • kbiogr_000589
  • kbioss_001453
  • divk1c_000189
  • pyridine nucleotide diphosphate
  • spbio_001012
  • bpbio1_000796
  • chembl3039307
  • schembl14478781
  • kbio1_000189
  • kbio2_001453
  • kbio2_004021
  • kbio2_006589
  • kbio3_001561
  • ninds_000189
  • zinc8214766
  • idi1_000189
  • 6445-ep1441224a2
  • 6445-ep2269977a2
  • 6445-ep2272827a1
  • 6445-ep2275414a1
  • 6445-ep2281818a1
  • 6445-ep2292630a1
  • 6445-ep2295417a1
  • 6445-ep2298312a1
  • 6445-ep2298747a1
  • c00003
  • d00002
  • 47777-ep2272827a1
  • 47777-ep2272972a1
  • 47777-ep2272973a1
  • 47777-ep2277872a1
  • 47777-ep2308868a1
  • 47777-ep2311811a1
  • 47777-ep2374895a1
  • 036d253
  • sr-05000001677-1
  • sr-05000001677-3
  • brd-a11132253-001-01-7
  • q26987253
  • 1-[5-o-[(5'-adenylyloxy)phosphonyl]-beta-d-ribofuranosyl]-3-(aminocarbonyl)pyridinium", "3-carbamoyl-1-d-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate
  • [(3s,2r,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(3s,2r,4r,5r)-5-(3-carbamoylpyridyl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxyphosphoryl) hydrogen phosphate
  • 3-carbamoyl-1-beta-d-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt", "3-carbamoyl-1-beta-delta-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate inner salt", "3-carbamoyl-1-delta-ribofuranosylpyridinium hydroxide 5'-ester with adenosine 5'-pyrophosphate
  • 865-05-4
  • adenosine 5'-{3-[1-(3-carbamoylpyridinio)-1,4-anhydro-d-ribitol-5-yl] dihydrogen diphosphate}"]
show 96 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3039307
Canonical SMILES:   NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Standard InChI:   InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Molecular Formula:   C21H28N7O14P2+ Mol. Weight:   664.1164 logP:   -3.0159
HBD:   8 HBA:   17
#Rotatable Bonds:   11 TPSA:   318.26

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Polyubiquitin-C P0CG48 (UBC_HUMAN) Homo sapiens (Human) 6B7O AR6
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SHOW
Actin, alpha skeletal muscle P68135 (ACTS_RABIT) Oryctolagus cuniculus (Rabbit) 4H0T AR6
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SHOW