Ligand name: 4-[[4-[[5-[[(2S)-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1H-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid
PDB ligand accession: IL1
DrugBank: n/a
PubChem: 139555045
ChEMBL: n/a
InChI Key: JOTLSOCKRKDRJG-UMSFTDKQSA-N
SMILES: CC(C)Oc1c(ccc(c1O)C(=O)Nc2ccc(cc2)C(=O)O)NC(=O)c3ccc(cn3)NC(=O)C(Cc4c[nH]nn4)NC(=O)c5ccc(cn5)NC(=O)c6ccc(cc6)C#N
Drug action: n/a

List of PDB structures and/or AlphaFold models with target protein P0AES4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7Z9K	Download	Experimental	e7z9kA1 e7z9kA3 e7z9kC3 e7z9kB2 e7z9kB3	HTH alpha-helical domain in type II DNA topoisomerase HTH SSHS domain HAD domain-related	LigPlot
7Z9M	Download	Experimental	e7z9mA2 e7z9mC3 e7z9mD1 e7z9mD2	HTH HTH HAD domain-related SSHS domain	LigPlot