Ligand name: Pralsetinib
PDB ligand accession: Q4J
DrugBank: DB15822
PubChem: n/a
ChEMBL: CHEMBL4297597
InChI Key: GBLBJPZSROAGMF-RWYJCYHVSA-N
SMILES: CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1
Drug action: n/a

List of small molecule binding-associated PTMs for P07949

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
THR 754 Phosphorylation PyMOL_Chai1
TYR 791 Phosphorylation PyMOL_Chai1
TYR 806 Phosphorylation PyMOL_Chai1
TYR 809 Phosphorylation PyMOL_Chai1
SER 891 Phosphorylation PyMOL_Chai1