PDB ligand accession: TZ4
DrugBank: DB02226
PubChem: 5289507;102194235;
ChEMBL:
InChI Key: NAARZDJZGYBXKL-UHFFFAOYSA-O
SMILES: NC1=CC2=C(C=C1)C1=CC=C(N)C=C1C(C1=CC=CC=C1)=[N+]2CCCCCCC1=CN(CCNC2=C3CCCCC3=NC3=C2C=CC=C3)N=N1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 164 | Phosphorylation | PyMOL_Chai1 |