Ligand name: {3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron
PDB ligand accession: U9F
DrugBank: n/a
PubChem: 168654891
ChEMBL: n/a
InChI Key: IBAMXDPOERGEKA-UHFFFAOYSA-N
SMILES: [B-]1(n2c(ccc2c3ccc[nH]3)C=C4[N+]1=C(C=C4)CCC(=O)NCCOCCOCCC(=O)Nc5cccc(c5)N6C7=C(C(=O)N(C(=C7C(=O)N(C6=O)C8CC8)Nc9ccc(cc9F)I)C)C)(F)F
Drug action: n/a

List of PDB structures and/or AlphaFold models with target protein Q6VAB6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7UMB	Download	Experimental	e7umbB1 e7umbC1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot