Ligand name: RAPAMYCIN IMMUNOSUPPRESSANT DRUG
PDB ligand accession: RAP
DrugBank: DB00877
PubChem: 5284616
ChEMBL: CHEMBL413
InChI Key: QFJCIRLUMZQUOT-HPLJOQBZSA-N
SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Macrolide lactams
      • Subclass: None

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P42345

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4DRJ	Download	Experimental	e4drjA1 e4drjB1	FKBP-like Four-helical up-and-down bundle	LigPlot
6M4U	Download	Experimental	e6m4uA1 e6m4uB1 e6m4uF1 e6m4uE1 e6m4uB1 e6m4uF1	FKBP-like Four-helical up-and-down bundle Four-helical up-and-down bundle FKBP-like Four-helical up-and-down bundle Four-helical up-and-down bundle	LigPlot
4DRI	Download	Experimental	e4driA2 e4driB1	FKBP-like Four-helical up-and-down bundle	LigPlot
1FAP	Download	Experimental	e1fapB1 e1fapA1	Four-helical up-and-down bundle FKBP-like	LigPlot
6M4W	Download	Experimental	e6m4wD1 e6m4wG1 e6m4wE1 e6m4wH1 e6m4wF1 e6m4wI1	FKBP-like Four-helical up-and-down bundle FKBP-like Four-helical up-and-down bundle FKBP-like Four-helical up-and-down bundle	LigPlot
5FLC	Download	Experimental	e5flcB2 e5flcF3	Four-helical up-and-down bundle Four-helical up-and-down bundle	LigPlot
4DRH	Download	Experimental	e4drhA1 e4drhE1 e4drhB1 e4drhD2 e4drhE1 e4drhB1	FKBP-like Four-helical up-and-down bundle Four-helical up-and-down bundle FKBP-like Four-helical up-and-down bundle Four-helical up-and-down bundle	LigPlot
5GPG	Download	Experimental	e5gpgA1 e5gpgB1	FKBP-like Four-helical up-and-down bundle	LigPlot