Ligand name: 2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(3-azanylpropylcarbamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid
PDB ligand accession: KH9
DrugBank: n/a
PubChem: 166449429
ChEMBL: CHEMBL5397449
InChI Key: PFWXIFMXYVCTQE-CGZJSAOLSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CNC(=O)NCCCN)O)O)N)CC(=O)O)O)O)N
Drug action: n/a

List of PDB structures and/or AlphaFold models with target protein Q8Y8D7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7ZZA	Download	Experimental	e7zzaA1 e7zzaA2	NAD kinase beta sandwich domain-like Flavodoxin-like	LigPlot