PDB ligand accession: BAB
DrugBank: DB01705
PubChem: 6398417;78408105;131704176;
ChEMBL: n/a
InChI Key: QZKOOEFIMWKZPK-UHFFFAOYSA-Q
SMILES: NC(=[NH2+])C1=CC2=C(C=C1)N=C(CC1=NC3=C(N1)C=C(C=C3)C([NH3+])=[NH2+])N2
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 154 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 229 | Phosphorylation | PyMOL_Chai1 | ||
SER | 215 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 99 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 154 | Sulfation | PyMOL_Chai1 | ||
LYS | 225 | Ubiquitination |