PDB ligand accession: SHH
DrugBank: DB02546
PubChem:
ChEMBL:
InChI Key: WAEXFXRVDQXREF-UHFFFAOYSA-N
SMILES: ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 32 | Acetylation | PyMOL_RFAA | ||
TYR | 205 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 304 | Phosphorylation | PyMOL_Chai1 | ||
THR | 305 | Phosphorylation | PyMOL_RFAA | ||
SER | 198 | Phosphorylation | PyMOL_RFAA | ||
CYS | 262 | S-nitrosylation | PyMOL_RFAA | ||
LYS | 201 | Ubiquitination | |||
LYS | 144 | Ubiquitination | |||
LYS | 32 | Ubiquitination | |||
CYS | 274 | S-nitrosylation | PyMOL_RFAA |