Ligand name: Dequalinium
PDB ligand accession: DEQ
DrugBank: DB04209
InChI Key: PCSWXVJAIHCTMO-UHFFFAOYSA-P
SMILES: Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N)C)N
Drug action: antagonist

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Aminoquinolines and derivatives

List of PDB structures and/or AlphaFold models with target protein P98170

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P98170	Download	Predicted	P98170_F1_nD1 P98170_F1_nD2 P98170_F1_nD5 P98170_F1_nD3	Inhibitor of apoptosis (IAP) repeat Inhibitor of apoptosis (IAP) repeat RING/U-box-like Inhibitor of apoptosis (IAP) repeat
1C9Q		Predicted	e1c9qA1
1F9X		Predicted	e1f9xA1
1G3F		Predicted	e1g3fA1
1G73		Predicted	e1g73D1 e1g73C1
1I3O		Predicted	e1i3oE1 e1i3oF1
1NW9		Predicted	e1nw9A1
1TFQ		Predicted	e1tfqA1
1TFT		Predicted	e1tftA1
2ECG		Predicted	e2ecgA1
2JK7		Predicted	e2jk7A1
2KNA		Predicted	e2knaA1
2OPY		Predicted	e2opyA1
2OPZ		Predicted	e2opzA1 e2opzD1 e2opzC1 e2opzB1
2POI		Predicted	e2poiA1
2POP		Predicted	e2popB1 e2popD1
2QRA		Predicted	e2qraD1 e2qraC1 e2qraB1 e2qraA1
2VSL		Predicted	e2vslA1
3CLX		Predicted	e3clxD1 e3clxA1 e3clxC1 e3clxB1
3CM2		Predicted	e3cm2D1 e3cm2A1 e3cm2B1 e3cm2C1 e3cm2E1 e3cm2F1 e3cm2G1 e3cm2H1 e3cm2I1 e3cm2J1
3CM7		Predicted	e3cm7C1 e3cm7A1 e3cm7B1 e3cm7D1
3EYL		Predicted	e3eylA1 e3eylB1
3G76		Predicted	e3g76A1 e3g76B1 e3g76D1 e3g76F1 e3g76H1 e3g76C1 e3g76E1 e3g76G1
3HL5		Predicted	e3hl5B1 e3hl5A1
4EC4		Predicted	e4ec4A1 e4ec4C1 e4ec4F1 e4ec4D1 e4ec4J2 e4ec4K2 e4ec4E2 e4ec4B2 e4ec4G2 e4ec4L2
4HY0		Predicted	e4hy0D1 e4hy0G2 e4hy0C2 e4hy0A2 e4hy0F2 e4hy0E2 e4hy0B2 e4hy0H2
4IC2		Predicted	e4ic2B1 e4ic2A1
4IC3		Predicted	e4ic3B1 e4ic3A1
4J3Y		Predicted	e4j3yA1 e4j3yC1
4J44		Predicted	e4j44A1 e4j44C1
4J45		Predicted	e4j45A1 e4j45C1
4J46		Predicted	e4j46A1 e4j46C1
4J47		Predicted	e4j47A1 e4j47C1
4J48		Predicted	e4j48A1 e4j48C1
4KJU		Predicted	e4kjuC1 e4kjuA1
4KJV		Predicted	e4kjvA1 e4kjvC1
4KMP		Predicted	e4kmpA1 e4kmpB1
4MTZ		Predicted	e4mtzA1 e4mtzB1 e4mtzC1 e4mtzD1
4OXC		Predicted	e4oxcA1 e4oxcB1 e4oxcD1 e4oxcC1
4WVS		Predicted	e4wvsA1
4WVT		Predicted	e4wvtA1 e4wvtB1
4WVU		Predicted	e4wvuA1
5C0K		Predicted	e5c0kA1
5C0L		Predicted	e5c0lA1
5C3H		Predicted	e5c3hA1
5C3K		Predicted	e5c3kA1
5C7A		Predicted	e5c7aA1
5C7B		Predicted	e5c7bA1
5C7C		Predicted	e5c7cA1
5C7D		Predicted	e5c7dA1
5C83		Predicted	e5c83A1
5C84		Predicted	e5c84A1
5M6E		Predicted	e5m6eA1
5M6F		Predicted	e5m6fA1
5M6H		Predicted	e5m6hA1
5M6L		Predicted	e5m6lA1
5M6M		Predicted	e5m6mA1
5O6T		Predicted	e5o6tA1 e5o6tB1
5OQW		Predicted	e5oqwB1 e5oqwA1
6EY2		Predicted	e6ey2D1 e6ey2A1 e6ey2B1 e6ey2C1 e6ey2E1 e6ey2F1 e6ey2G1 e6ey2H1
6GJW		Predicted	e6gjwA1 e6gjwB1 e6gjwC1 e6gjwD1
6QCI		Predicted	e6qciA1 e6qciB1 e6qciC1 e6qciD1