Ligand name: [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3R,3aS)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
PDB ligand accession: 12F
DrugBank: n/a
PubChem: 46224505
ChEMBL: n/a
InChI Key: MHNGLOZRWDKFEV-BJXRDEIQSA-N
SMILES: Cc1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8cccc(c8OCc9ccccc9)F)O
Drug action: n/a

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein O60341

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
3ABU Download Experimental e3abuA6
e3abuA7
FAD-linked reductases, C-terminal domain-like
Rossmann-like
LigPlot