PROTACpedia - PROTACS on 28288108

Structural basis of PROTAC cooperative recognition for selective protein degradation. Nat Chem Biol. 2017 Mar 13. PMID:28288108 DOI:10.1038/nchembio.2329

Uniprot ID:
O60885

Target: BRD4 Bromodomain-containing protein 4 O60885 Homo sapiens

E3 Ligand Binder

E3 ligase: VHL
E3 binder: Vh032
SMILES: show

Ligand

Ligand Name: JQ1
Ligand PDB Id: JQ1
PDB with Ligand: 3MXF
SMILES: show

Representative PROTAC (Active) name: AT1 - status:Reviewed Edit

Calculated Values
MW: 972.70
Hbond donors: 4
Hbond acceptors: 13
cLogP: 7.59
TPSA: 183.80

SMILES: show

Linker type: Alkane
Incubation time (hours): 24
Cells: Hela
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: Yes
Off-targets reported?: BRD2, BRD3

Contributed by: Daniel Zaidman

PROTAC (Active) name: AT5 - status:Reviewed Edit

Calculated Values
MW: 988.70
Hbond donors: 4
Hbond acceptors: 14
cLogP: 6.83
TPSA: 193.03

SMILES: show

Linker type: non-PEG polyether
Incubation time (hours): 24
Cells: Hela
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: Yes
Off-targets reported?: BRD2, BRD3

Contributed by: Daniel Zaidman

PROTAC (Active) name: MZ1 - status:Reviewed Edit

Calculated Values
MW: 1,002.66
Hbond donors: 4
Hbond acceptors: 15
cLogP: 5.60
TPSA: 211.49

SMILES: show

Linker type: PEG
Incubation time (hours): 24
Cells: Hela
Tested a non-binding E3 control?: Yes
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: Yes
Off-targets reported?: BRD2, BRD3

Contributed by: Daniel Zaidman

PROTAC (Active) name: MZ4 - status:Reviewed Edit

Calculated Values
MW: 958.61
Hbond donors: 4
Hbond acceptors: 14
cLogP: 5.58
TPSA: 202.26

SMILES: show

Linker type: PEG
Incubation time (hours): 24
Cells: Hela
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: Yes
Off-targets reported?: BRD2, BRD3

Contributed by: Daniel Zaidman

PROTAC (Active) name: MZ2 - status:Reviewed Edit

Calculated Values
MW: 1,046.71
Hbond donors: 4
Hbond acceptors: 16
cLogP: 5.61
TPSA: 220.72

SMILES: show

Linker type: PEG
Incubation time (hours): 24
Cells: Hela
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: Yes
Off-targets reported?: BRD2, BRD3

Contributed by: Daniel Zaidman

PROTAC (Active) name: AT2 - status:Reviewed Edit

Calculated Values
MW: 944.65
Hbond donors: 4
Hbond acceptors: 13
cLogP: 6.81
TPSA: 183.80

SMILES: show

Linker type: Alkane
Incubation time (hours): 24
Cells: Hela
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: Yes
Off-targets reported?: BRD2, BRD3

Contributed by: Daniel Zaidman

PROTAC (Active) name: AT6 - status:Reviewed Edit

Calculated Values
MW: 1,004.70
Hbond donors: 4
Hbond acceptors: 15
cLogP: 6.07
TPSA: 202.26

SMILES: show

Linker type: PEG
Incubation time (hours): 24
Cells: Hela
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: Yes
Off-targets reported?: BRD2, BRD3

Contributed by: Daniel Zaidman

PROTAC (Active) name: AT3 - status:Reviewed Edit

Calculated Values
MW: 960.65
Hbond donors: 4
Hbond acceptors: 14
cLogP: 6.05
TPSA: 193.03

SMILES: show

Linker type: PEG
Incubation time (hours): 24
Cells: Hela
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: Yes
Off-targets reported?: BRD2, BRD3

Contributed by: Daniel Zaidman

PROTAC (Active) name: MZ3 - status:Reviewed Edit

Calculated Values
MW: 1,149.84
Hbond donors: 5
Hbond acceptors: 16
cLogP: 6.32
TPSA: 240.59

SMILES: show

Linker type: PEG
Incubation time (hours): 24
Cells: Hela
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: Yes
Off-targets reported?: BRD2, BRD3

Contributed by: Daniel Zaidman

PROTAC (Active) name: AT4 - status:Reviewed Edit

Calculated Values
MW: 988.70
Hbond donors: 4
Hbond acceptors: 14
cLogP: 6.83
TPSA: 193.03

SMILES: show

Linker type: non-PEG polyether
Incubation time (hours): 24
Cells: Hela
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: Yes
Off-targets reported?: BRD2, BRD3

Contributed by: Daniel Zaidman