PDB ligand accession: DKI
DrugBank: DB07664
PubChem:
ChEMBL:
InChI Key: ARIOBGGRZJITQX-UHFFFAOYSA-N
SMILES: NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC1=C(F)C=CC=C1F
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 68 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 90 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 103 | Phosphorylation | PyMOL_Chai1 | ||
THR | 332 | Phosphorylation | PyMOL_RFAA | ||
LYS | 48 | Ubiquitination | |||
LYS | 164 | Ubiquitination |