Ligand name: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE
PDB ligand accession: BAP
DrugBank: DB07435
InChI Key: GFANZDFKCCJYRF-NSISKUIASA-N
SMILES: c1cc2ccc3cc4c(c5c3c2c(c1)cc5)CC(C(C4O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Pyrenes
      • Subclass: None

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q9UBT6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q9UBT6	Download	Predicted	Q9UBT6_F1_nD1 Q9UBT6_F1_nD3 Q9UBT6_F1_nD2	Hypothetical protein Ta1206-like HhH/H2TH Alpha-beta plaits
1T94		Predicted	e1t94A1 e1t94B3 e1t94A2 e1t94B4 e1t94A3 e1t94B1 e1t94A4 e1t94B2
2OH2		Predicted	e2oh2B1 e2oh2A3 e2oh2B2 e2oh2A4 e2oh2B3 e2oh2A1 e2oh2B4 e2oh2A2
2W7O		Predicted	e2w7oA1 e2w7oB1 e2w7oA2 e2w7oB2 e2w7oA3 e2w7oB3 e2w7oA4 e2w7oB4
2W7P		Predicted	e2w7pA1 e2w7pB1 e2w7pA2 e2w7pB2 e2w7pA3 e2w7pB3 e2w7pA4 e2w7pB4
3IN5		Predicted	e3in5A1 e3in5B1 e3in5A2 e3in5B2 e3in5B3 e3in5A5 e3in5A4 e3in5B4
3PZP		Predicted	e3pzpB1 e3pzpA1 e3pzpA2 e3pzpB2 e3pzpB3 e3pzpA5 e3pzpA4 e3pzpB4
4U6P		Predicted	e4u6pA4 e4u6pB2 e4u6pA3 e4u6pB1 e4u6pA1 e4u6pB3 e4u6pA2 e4u6pB4
4U7C		Predicted	e4u7cB4 e4u7cA3 e4u7cB1 e4u7cA1 e4u7cB3 e4u7cA2 e4u7cB2 e4u7cA4
5T14		Predicted	e5t14A3 e5t14B1 e5t14A4 e5t14B3 e5t14A1 e5t14B4 e5t14A2 e5t14B2
5W2A		Predicted	e5w2aA4 e5w2aB3 e5w2aA3 e5w2aB1 e5w2aA2 e5w2aB4 e5w2aA1 e5w2aB2
5W2C		Predicted	e5w2cA2 e5w2cB2 e5w2cA3 e5w2cB4 e5w2cA4 e5w2cB1 e5w2cA1 e5w2cB3
6BRX		Predicted	e6brxA2 e6brxB3 e6brxA3 e6brxB2 e6brxA1 e6brxB4 e6brxA4 e6brxB1
6BS1		Predicted	e6bs1A2 e6bs1B1 e6bs1A1 e6bs1B4 e6bs1A3 e6bs1B3 e6bs1A4 e6bs1B2
6CST		Predicted	e6cstA3 e6cstB1 e6cstA4 e6cstB3 e6cstA2 e6cstB4 e6cstA1 e6cstB2