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 P00519

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P00519	Download	Predicted	P00519_F1_nD1 P00519_F1_nD3 P00519_F1_nD2	SH3 Protein kinase/SAICAR synthase/ATP-grasp SH2
1AB2		Predicted	e1ab2A1
1AWO		Predicted	e1awoA1
1BBZ		Predicted	e1bbzC1 e1bbzG1 e1bbzE1 e1bbzA1
1JU5		Predicted	e1ju5C1
1OPL		Predicted	e1oplA1 e1oplA2 e1oplB1 e1oplA3 e1oplB2
1ZZP		Predicted	e1zzpA2
2ABL		Predicted	e2ablA1 e2ablA2
2E2B		Predicted	e2e2bA1 e2e2bB1
2F4J		Predicted	e2f4jA1
2FO0		Predicted	e2fo0A3 e2fo0A4 e2fo0A2
2G1T		Predicted	e2g1tB1 e2g1tD1 e2g1tC1 e2g1tA1
2G2F		Predicted	e2g2fA1 e2g2fB1
2G2H		Predicted	e2g2hA1 e2g2hB1
2G2I		Predicted	e2g2iA1 e2g2iB1
2GQG		Predicted	e2gqgA1 e2gqgB1
2HIW		Predicted	e2hiwA1 e2hiwB1
2HYY		Predicted	e2hyyA1 e2hyyB1 e2hyyC1 e2hyyD1
2HZ0		Predicted	e2hz0A1 e2hz0B1
2HZ4		Predicted	e2hz4C1 e2hz4A1 e2hz4B1
2HZI		Predicted	e2hziA1 e2hziB1
2V7A		Predicted	e2v7aA1 e2v7aB1
3CS9		Predicted	e3cs9B1 e3cs9C1 e3cs9A1 e3cs9D1
3EG0		Predicted	e3eg0A1
3EG1		Predicted	e3eg1A1 e3eg1B1
3EG2		Predicted	e3eg2A1
3EG3		Predicted	e3eg3A1
3EGU		Predicted	e3eguA1
3K2M		Predicted	e3k2mA1 e3k2mB1
3PYY		Predicted	e3pyyA1 e3pyyB1
3QRI		Predicted	e3qriA1 e3qriB1
3QRJ		Predicted	e3qrjA1 e3qrjB1
3QRK		Predicted	e3qrkA1
3T04		Predicted	e3t04A1
3UE4		Predicted	e3ue4A1 e3ue4B1
3UYO		Predicted	e3uyoA1
4J9B		Predicted	e4j9bA1
4J9C		Predicted	e4j9cA1
4J9D		Predicted	e4j9dA1 e4j9dC1 e4j9dE1
4J9E		Predicted	e4j9eA1 e4j9eC1 e4j9eE1
4J9F		Predicted	e4j9fA1 e4j9fE1 e4j9fC1
4J9G		Predicted	e4j9gA1 e4j9gC1 e4j9gE1
4J9H		Predicted	e4j9hB1 e4j9hC1 e4j9hD1 e4j9hF1 e4j9hA1 e4j9hE1
4J9I		Predicted	e4j9iA1 e4j9iC1 e4j9iE1
4JJB		Predicted	e4jjbA1
4JJC		Predicted	e4jjcA1
4JJD		Predicted	e4jjdA1
4TWP		Predicted	e4twpA1 e4twpB1
4WA9		Predicted	e4wa9A1 e4wa9B1
4XEY		Predicted	e4xeyB2 e4xeyB1 e4xeyA1
4YC8		Predicted	e4yc8B1 e4yc8A1
4ZOG		Predicted	e4zogB1 e4zogA1
5DC0		Predicted	e5dc0B1
5DC4		Predicted	e5dc4A1
5DC9		Predicted	e5dc9A1
5HU9		Predicted	e5hu9A1
5MO4		Predicted	e5mo4A3 e5mo4A1 e5mo4A2
5NP2		Predicted	e5np2B1 e5np2A1
5OAZ		Predicted	e5oazB1 e5oazA1
6AMV		Predicted	e6amvA1 e6amvA2
6AMW		Predicted	e6amwA2 e6amwA1
6BL8		Predicted	e6bl8B1 e6bl8A1
6NPE		Predicted	e6npeB1 e6npeA1
6NPU		Predicted	e6npuB1 e6npuA1
6NPV		Predicted	e6npvB1 e6npvA1