Ligand name: (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE
PDB ligand accession: U49
DrugBank: DB08674
PubChem: 23646577
ChEMBL: CHEMBL496879
InChI Key: USPFJPDEADLGIG-HSZRJFAPSA-N
SMILES: [H][C@@]12CCN(C1=O)C1=C3C=C(OC4=C(C=CC(CN5C=NC=C5CN2)=C4)C#N)C=CC3=CC=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P49356

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
TYR 300 Phosphorylation PyMOL_Chai1