PDB ligand accession: RAP
DrugBank: DB00877
PubChem:
ChEMBL:
InChI Key: QFJCIRLUMZQUOT-HPLJOQBZSA-N
SMILES: [H][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](O)[C@@H](C1)OC
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 35 | Acetylation | |||
LYS | 36 | Acetylation | |||
LYS | 48 | Acetylation | |||
LYS | 53 | Acetylation | |||
CYS | 23 | Glutathionylation | |||
LYS | 48 | Malonylation | |||
LYS | 53 | Malonylation | |||
TYR | 81 | Phosphorylation | |||
MET | 30 | Sulfoxidation | |||
LYS | 53 | Ubiquitination | |||
LYS | 58 | Acetylation | |||
LYS | 66 | Acetylation | |||
TYR | 57 | Phosphorylation | |||
LYS | 76 | Acetylation | |||
SER | 78 | Phosphorylation | |||
SER | 118 | Phosphorylation | |||
TYR | 111 | Phosphorylation | |||
TYR | 113 | Phosphorylation | |||
THR | 127 | Phosphorylation | |||
SER | 69 | Phosphorylation | |||
SER | 70 | Phosphorylation | |||
LYS | 83 | Succinylation | |||
LYS | 76 | Ubiquitination | |||
LYS | 83 | Ubiquitination | |||
LYS | 88 | Ubiquitination | |||
LYS | 66 | Ubiquitination | |||
LYS | 160 | Acetylation | |||
LYS | 170 | Acetylation | |||
LYS | 165 | Acetylation | |||
CYS | 133 | Glutathionylation | |||
LYS | 160 | Malonylation | |||
LYS | 165 | Malonylation | |||
LYS | 170 | Malonylation | |||
THR | 147 | Phosphorylation | |||
SER | 163 | Phosphorylation | |||
TYR | 198 | Phosphorylation | |||
TYR | 135 | Phosphorylation | |||
THR | 136 | Phosphorylation | |||
THR | 138 | Phosphorylation | |||
THR | 143 | Phosphorylation | |||
LYS | 170 | Ubiquitination | |||
LYS | 160 | Ubiquitination | |||
LYS | 165 | Ubiquitination | |||
LYS | 207 | Ubiquitination | |||
TYR | 2088 | Phosphorylation | |||
LYS | 2066 | Malonylation | |||
LYS | 2066 | Ubiquitination |