Ligand name: Lapatinib
PDB ligand accession: FMM
DrugBank: DB01259
InChI Key: BCFGMOOMADDAQU-UHFFFAOYSA-N
SMILES: CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F
Drug action: antagonist

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein P04626

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P04626	Download	Predicted	P04626_F1_nD3 P04626_F1_nD1 P04626_F1_nD2 P04626_F1_nD6 P04626_F1_nD4	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix EGF-like Protein kinase/SAICAR synthase/ATP-grasp EGF-like
1N8Z		Predicted	e1n8zC1 e1n8zC2 e1n8zC4 e1n8zC3
1S78		Predicted	e1s78A1 e1s78A2 e1s78B7 e1s78B5 e1s78A4 e1s78B8 e1s78B6 e1s78A3
2A91		Predicted	e2a91A2 e2a91A1 e2a91A3
2N2A		Predicted	e2n2aA1 e2n2aB1
3BE1		Predicted	e3be1A5 e3be1A7 e3be1A6 e3be1A8
3H3B		Predicted	e3h3bB1 e3h3bA1
3MZW		Predicted	e3mzwA11 e3mzwA9 e3mzwA12 e3mzwA10
3N85		Predicted	e3n85A1 e3n85A2 e3n85A4 e3n85A3
3PP0		Predicted	e3pp0A1 e3pp0B1
3RCD		Predicted	e3rcdB1 e3rcdD1 e3rcdA1 e3rcdC1
3WLW		Predicted	e3wlwA1 e3wlwB3 e3wlwA2 e3wlwB4 e3wlwA4 e3wlwB1 e3wlwA3 e3wlwB2
3WSQ		Predicted	e3wsqA1 e3wsqA4 e3wsqA2 e3wsqA3
4HRL		Predicted	e4hrlC2
4HRM		Predicted	e4hrmA1 e4hrmC1
4HRN		Predicted	e4hrnC1 e4hrnD1
5K33		Predicted	e5k33C4 e5k33C1 e5k33C2 e5k33C3
5KWG		Predicted	e5kwgC4 e5kwgC3 e5kwgC2 e5kwgC1
5MY6		Predicted	e5my6A1 e5my6A4 e5my6A2 e5my6A3
5O4G		Predicted	e5o4gC3 e5o4gC2 e5o4gC1 e5o4gC4
5OB4		Predicted	e5ob4A1 e5ob4B1
6ATT		Predicted	e6attA4 e6attA3 e6attA1 e6attA2
6BGT		Predicted	e6bgtC4 e6bgtC3 e6bgtC1 e6bgtC2