PDB ligand accession: 2TA
DrugBank: DB12500
PubChem:
ChEMBL:
InChI Key: JOOXLOJCABQBSG-UHFFFAOYSA-N
SMILES: CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC=CC(=C1)S(=O)(=O)NC(C)(C)C
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 931 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 934 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 936 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 940 | Phosphorylation | PyMOL_Chai1 |