Ligand name: 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one
PDB ligand accession: U4U
DrugBank: n/a
PubChem: 164885980
ChEMBL: n/a
InChI Key: OMTNYVPXTAMVCY-MRXNPFEDSA-N
SMILES: CCC(=O)N1CCN2Cc3cc(c(c(c3OCC2C1)F)c4c(cccc4Cl)O)C#C
Drug action: n/a

List of PDB structures and/or AlphaFold models with target protein P01116-2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8DNJ	Download	Experimental	e8dnjA1 e8dnjB1 e8dnjC1	P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot