Covpdb









Ligand
Ligand Name:   O-acetyl-ADP ribose
Ligand Type:   non-polymer
Ligand ID:   COVPDB1478 PubChem:   49867878
Synonym(s):  
  •   (2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate
  • acetyl-ribosyl-adp
  • q27467661
  • (2r,3r,4s,5r)-5-({[(r)-{[(r)-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate (non-preferred name)
show 3 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1236876
Canonical SMILES:   CC(=O)O[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/C17H25N5O15P2/c1-6(23)34-17-13(27)11(25)8(36-17)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1
Molecular Formula:   C17H25N5O15P2 Mol. Weight:   601.0822 logP:   -2.7119
HBD:   7 HBA:   18
#Rotatable Bonds:   10 TPSA:   297.59

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Acetyl-coenzyme A synthetase 2-like, mitochondrial Q9NUB1 (ACS2L_HUMAN) Homo sapiens (Human) 4BVG XYQ
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