PDB ligand accession: BMI
DrugBank: DB07474
PubChem:
ChEMBL:
InChI Key: GLTRPHMPCVLOJS-UHFFFAOYSA-N
SMILES: CC1=CC(=CC2=C1N=C(N2)C1=C(NCC2=NC=CC=C2)C=CNC1=O)N1C=CN=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 1088 | Acetylation | PyMOL_RFAA | ||
SER | 1009 | Phosphorylation | PyMOL_RFAA | ||
TYR | 1014 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
TYR | 1161 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
THR | 1157 | Phosphorylation | PyMOL_RFAA | ||
LYS | 1033 | Ubiquitination |