Ligand name: 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one
PDB ligand accession: K9P
DrugBank: n/a
PubChem: 137349636
ChEMBL: n/a
InChI Key: RUAITRBXVQXTLB-CYBMUJFWSA-N
SMILES: CCCCCC(=O)N1CC(c2c1cc(c3c2cccc3)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Naphthalenes
      • Subclass: Naphthols and derivatives

List of PDB structures and/or AlphaFold models with target protein P51977

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5AC1	Download	Experimental	e5ac1A1 e5ac1A2 e5ac1B1 e5ac1B2 e5ac1C1 e5ac1C2 e5ac1D1 e5ac1D2	ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot
5AC0	Download	Experimental	e5ac0A1 e5ac0A2 e5ac0B1 e5ac0B2	ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot