Target: AR Androgen receptor P10275 Homo sapiens

E3 Ligand Binder

E3 ligase: Mdm2
E3 binder: Nutlin
SMILES: show

COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1

Ligand

Ligand Name: SARM
IC₅₀: = 4 nM
SMILES: show

CC(=O)Nc1ccc(OCC(C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1

Representative PROTAC (Active) name: SARM-nutlin PROTAC - status:Reviewed Edit

Calculated Values
MW: 1,210.06
Hbond donors: 4
Hbond acceptors: 15
cLogP: 8.10
TPSA: 262.27

SMILES: show

COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCOCC(=O)Nc3ccc(OCC(C)(O)C(=O)Nc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)cc3)C(=O)C2)c(OC(C)C)c1

Linker type: PEG
Incubation time (hours): 7
Cells: HeLa
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: Yes
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No

Contributed by: Daniel Zaidman