PDB ligand accession: E6L
DrugBank: DB06237
PubChem:
ChEMBL:
InChI Key: WEAJZXNPAWBCOA-INIZCTEOSA-N
SMILES: COC1=C(Cl)C=C(CNC2=C(C=NC(=N2)N2CCC[C@H]2CO)C(=O)NCC2=NC=CC=N2)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 802 | Phosphorylation | PyMOL_RFAA |