Ligand name: 1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid
PDB ligand accession: EQ2
DrugBank: n/a
PubChem: 5488588
ChEMBL: CHEMBL1682930
InChI Key: RMLMLEMGHAUXDM-UHFFFAOYSA-N
SMILES: CC(=O)c1c2c(cc(n1)C(=O)O)c3ccccc3[nH]2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Alkaloids and derivatives
    • Class: Harmala alkaloids
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein R4R1U5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6H1B	Download	Experimental	e6h1bA4 e6h1bB2 e6h1bC4 e6h1bD1 e6h1bE1 e6h1bE4	Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like	LigPlot
6SQ8	Download	Experimental	e6sq8A1 e6sq8A4 e6sq8B1 e6sq8B3 e6sq8C2 e6sq8C3 e6sq8D3 e6sq8D4 e6sq8E2 e6sq8E3	Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like	LigPlot