Ligand name: 9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE
PDB ligand accession: IHI
DrugBank: DB07967
PubChem: 11464526
ChEMBL: CHEMBL188865
InChI Key: JJNKDTWKWYLERH-UHFFFAOYSA-N
SMILES: N#CC1=NC2=C(N=CN2C2CCCC2)C(NC2=CC=CC=C2OCCCN2C=CN=C2)=N1
Drug action: n/a

List of small molecule binding-associated PTMs for P43235

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
TYR 203 Phosphorylation PyMOL_Chai1
CYS 139 S-nitrosylation PyMOL_Chai1