Ligand name: 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid
PDB ligand accession: Q74
DrugBank: DB08449
PubChem: 10150441
ChEMBL: CHEMBL1235556
InChI Key: IEVFQDJUDLCOQY-UHFFFAOYSA-N
SMILES: OC(=O)CN1C=C(CC2=NC3=C(S2)C(F)=CC(F)=C3F)C2=CC=CN=C12
Drug action: n/a

List of small molecule binding-associated PTMs for P15121

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	308	Acetylation		PyMOL_RFAA
LYS	22	Acetylation		PyMOL_RFAA
CYS	299	Glutathionylation		PyMOL_RFAA
THR	20	Phosphorylation		PyMOL_RFAA
SER	23	Phosphorylation		PyMOL_RFAA
TYR	49	Phosphorylation			PyMOL_Chai1
SER	77	Phosphorylation		PyMOL_RFAA
SER	211	Phosphorylation		PyMOL_RFAA
SER	215	Phosphorylation		PyMOL_RFAA
TYR	210	Phosphorylation			PyMOL_Chai1
SER	303	Phosphorylation		PyMOL_RFAA
THR	305	Phosphorylation		PyMOL_RFAA
SER	306	Phosphorylation		PyMOL_RFAA
CYS	299	S-nitrosylation		PyMOL_RFAA
CYS	304	S-nitrosylation		PyMOL_RFAA