Formula:
avg. MolWt:
PAINS elements:
SMILES:
O=C(C(C)(C)[C@@H]1CC[C@@]2(C)[C@]3(C)CC[C@@](C(NCCCOCCOCCOCCCNC(NC(C=C4)=CC(C(O)=O)=C4C(C5=CC=C(O)C=C5O6)=C(C=C7)C6=CC7=O)=S)=O)(CC8)[C@@H](CC8(C)C)[C@@H]93)C(C#N)=C[C@]1(C)C2=CC9=O
Store at:
Absorption:
Emission:
clogP:
Synthesis:
Contributing Lab:
Mazitschek Lab, Massachusetts General Hospital, Boston
: 54.4
Z’: 0.87
: yes
KD:
Compound used for displacement:
CDDO
IC50:
Comment: KEAP1 (2-624), TR-FRET donor: CoraFluor-1
Reference: PMID