PDB ligand accession: ZZ6
DrugBank: DB08789
PubChem:
ChEMBL:
InChI Key: YPEOXUOUTBMBCX-UHFFFAOYSA-N
SMILES: CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 58 | Acetylation | PyMOL_RFAA | ||
LYS | 69 | Acetylation | PyMOL_RFAA | ||
LYS | 100 | Acetylation | PyMOL_RFAA | ||
LYS | 112 | Acetylation | PyMOL_RFAA | ||
SER | 52 | Phosphorylation | PyMOL_RFAA | ||
SER | 53 | Phosphorylation | PyMOL_RFAA | ||
THR | 94 | Phosphorylation | PyMOL_RFAA | ||
THR | 99 | Phosphorylation | PyMOL_RFAA | ||
THR | 109 | Phosphorylation | PyMOL_RFAA | ||
THR | 115 | Phosphorylation | PyMOL_RFAA | ||
TYR | 160 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 50 | Phosphorylation | PyMOL_RFAA | ||
LYS | 100 | Succinylation | PyMOL_RFAA PyMOL_RFAA | ||
MET | 98 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 58 | Ubiquitination | |||
LYS | 69 | Ubiquitination | |||
LYS | 112 | Ubiquitination | |||
LYS | 185 | Ubiquitination |