PDB ligand accession: 8IN
DrugBank: DB02504
PubChem:
ChEMBL:
InChI Key: AQEYCNKFBRLUOT-UHFFFAOYSA-N
SMILES: CC1=C(CC(N)=O)C2=C(C=CC(OCCCP(O)(O)=O)=C2)N1CC1=CC=CC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 86 | Phosphorylation | PyMOL_Chai1 |