Ligand
Ligand Name:   ADP-ribose
Ligand Type:   non-polymer
Ligand ID:   COVPDB993 PubChem:   30243
Synonym(s):  
  •   adp ribose
  • adpr (nucleotide)
  • 20762-30-5
  • adenosine diphosphoribose
  • ribose adenosinediphosphate
  • adenosine pyrophosphate-ribose
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3r,4r)-2,3,4-trihydroxy-5-oxopentyl] hydrogen phosphate
  • jnt
  • [32p]-adp-ribose
  • gtpl2444
  • adenosine 5'-diphosphate, d-ribose ester", "adenosine 5'-diphosphate, d-ribose ester (6ci)
  • q27074316
  • adenosine 5'-pyrophosphate, 5'-5-ester with d-ribofuranose (7ci)", "adenosine 5'-(trihydrogen diphosphate), p'-5-ester with d-ribose (9ci)", "adenosine 5'-(trihydrogen pyrophosphate), 5'-5-ester with d-ribofuranose", "ribofuranose, 5-5'-ester with adenosine 5'-(trihydrogen pyrophosphate), d-", "adenosine 5'-(trihydrogen pyrophosphate), 5'-5-ester with d-ribofuranose (8ci)", "ribofuranose, 5-5'-ester with adenosine 5'-(trihydrogen pyrophosphate), d- (8ci)
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(2r,3r,4r)-2,3,4-trihydroxy-5-oxopentoxy]phosphoryl] hydrogen phosphate
show 13 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)C=O)[C@@H](O)[C@H]1O
Standard InChI:   InChI=1S/C15H23N5O14P2/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(26)11(25)8(33-15)3-32-36(29,30)34-35(27,28)31-2-7(23)10(24)6(22)1-21/h1,4-8,10-12,15,22-26H,2-3H2,(H,27,28)(H,29,30)(H2,16,17,18)/t6-,7+,8+,10-,11+,12+,15+/m0/s1
Molecular Formula:   C15H23N5O14P2 Mol. Weight:   559.07166 logP:   -3.4401
HBD:   8 HBA:   17
#Rotatable Bonds:   12 TPSA:   299.36

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Polyprotein P1234 Q5Y389 (POLN_GETV) Getah virus (GETV) 6R0R JNT
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