Ligand name: Umbralisib
PDB ligand accession: n/a
DrugBank: DB14989
InChI Key:
SMILES: CC(C)OC1=C(F)C=C(C=C1)C1=NN([C@@H](C)C2=C(C3=CC=CC(F)=C3)C(=O)C3=CC(F)=CC=C3O2)C2=C1C(N)=NC=N2
Drug action: inhibitor

List of PDB structures and/or AlphaFold models with target protein O00329

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
O00329	Download	Predicted	O00329_F1_nD1 O00329_F1_nD2 O00329_F1_nD4 O00329_F1_nD3	beta-Grasp Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins
5DXU		Predicted	e5dxuA1 e5dxuA3 e5dxuA5 e5dxuA2 e5dxuA4
5M6U		Predicted	e5m6uA4 e5m6uA1 e5m6uA5 e5m6uA3 e5m6uA2
5T8F		Predicted	e5t8fA5 e5t8fA1 e5t8fA4 e5t8fA3 e5t8fA2
5UBT		Predicted	e5ubtA3 e5ubtA5 e5ubtA4 e5ubtA1 e5ubtA2
5VLR		Predicted	e5vlrA2 e5vlrA4 e5vlrA3 e5vlrA1 e5vlrA5
6G6W		Predicted	e6g6wA4 e6g6wA5 e6g6wA1 e6g6wA2 e6g6wA3
6OCO		Predicted	e6ocoA2 e6ocoA5 e6ocoA4 e6ocoA1 e6ocoA3
6OCU		Predicted	e6ocuA3 e6ocuA1 e6ocuA4 e6ocuA2 e6ocuA5
6PYR		Predicted	e6pyrA3 e6pyrA5 e6pyrA4 e6pyrA2 e6pyrA1
6PYU		Predicted	e6pyuA3 e6pyuA5 e6pyuA4 e6pyuA2 e6pyuA1