PDB ligand accession: 5P8
DrugBank: DB12130
PubChem:
ChEMBL:
InChI Key: IIXWYSCJSQVBQM-LLVKDONJSA-N
SMILES: C[C@H]1OC2=C(N)N=CC(=C2)C2=C(C#N)N(C)N=C2CN(C)C(=O)C2=C1C=C(F)C=C2
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 1131 | Phosphorylation | PyMOL_Chai1 | ||
SER | 1206 | Phosphorylation | PyMOL_Chai1 |