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E3 Ligand Binder
 E3 ligase: Cereblon
E3 binder: Lenalidomide
SMILES: show
Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
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Ligand
 Ligand Name: JQ1
Ligand PDB Id: JQ1
PDB with Ligand: 3MXF
SMILES: show
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
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Representative PROTAC (Active) name: PHOTAC-I-3 - status:Reviewed Edit
Calculated Values
MW: 935.46
Hbond donors: 3
Hbond acceptors: 15
cLogP: 6.47
TPSA: 220.16
SMILES: show
O=C(NCCCCNC(COC1=C(OC)C=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1OC)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5
Linker type: Other
Incubation time (hours): 4
Cells: RS4;11
EC50 (cells): = 88.5 nM
Tested a non-binding E3 control?: YesTested competition with ligand?: NoTested proteaseome inhibitor?: NoProteomics data available?: NoTested engagement in cells?: NoOff-targets reported?: No
Comments: Light-activated PROTAC. The cis form is active. Tested Cullin-RING inhibitors (MLN4924), which proved that PROTAC is UPS-dependent.
Contributed by: Yangwode Jing
PROTAC (Active) name: PHOTAC-I-6 - status:Reviewed Edit
Calculated Values
MW: 847.36
Hbond donors: 3
Hbond acceptors: 13
cLogP: 5.68
TPSA: 201.70
SMILES: show
O=C(NCCNC(COC1=CC=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1)=O)C[C@@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5
Linker type: Other
Incubation time (hours): 4
Cells: RS4;11
Tested a non-binding E3 control?: NoTested competition with ligand?: NoTested proteaseome inhibitor?: NoProteomics data available?: NoTested engagement in cells?: NoOff-targets reported?: No
Comments: Light-activated PROTAC. The cis form is active.
Contributed by: Yangwode Jing
PROTAC (Active) name: PHOTAC-I-4 - status:Reviewed Edit
Calculated Values
MW: 949.49
Hbond donors: 3
Hbond acceptors: 15
cLogP: 6.86
TPSA: 220.16
SMILES: show
O=C(NCCCCCNC(COC1=C(OC)C=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1OC)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5
Linker type: Other
Incubation time (hours): 4
Cells: RS4;11
Tested a non-binding E3 control?: NoTested competition with ligand?: NoTested proteaseome inhibitor?: NoProteomics data available?: NoTested engagement in cells?: NoOff-targets reported?: No
Comments: Light-activated PROTAC. The cis form is active.
Contributed by: Yangwode Jing
PROTAC (Active) name: PHOTAC-I-1 - status:Reviewed Edit
Calculated Values
MW: 907.41
Hbond donors: 3
Hbond acceptors: 15
cLogP: 5.69
TPSA: 220.16
SMILES: show
O=C(NCCNC(COC1=C(OC)C=C(/N=N/C2=CC=CC3=C2CN([C@@H](CC4)C(NC4=O)=O)C3=O)C=C1OC)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5
Linker type: Other
Incubation time (hours): 4
Cells: RS4;11
Tested a non-binding E3 control?: NoTested competition with ligand?: NoTested proteaseome inhibitor?: NoProteomics data available?: NoTested engagement in cells?: NoOff-targets reported?: No
Comments: Light-activated PROTAC. The cis form is active.
Contributed by: Yangwode Jing
PROTAC (Active) name: PHOTAC-I-5 - status:Reviewed Edit
Calculated Values
MW: 963.52
Hbond donors: 3
Hbond acceptors: 15
cLogP: 7.26
TPSA: 220.16
SMILES: show
O=C(NCCCCCCNC(COC1=C(OC)C=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1OC)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5
Linker type: Other
Incubation time (hours): 4
Cells: RS4;11
Tested a non-binding E3 control?: NoTested competition with ligand?: NoTested proteaseome inhibitor?: NoProteomics data available?: NoTested engagement in cells?: NoOff-targets reported?: No
Comments: Light-activated PROTAC. The cis form is active.
Contributed by: Yangwode Jing
PROTAC (Active) name: PHOTAC-I-7 - status:Reviewed Edit
Calculated Values
MW: 875.41
Hbond donors: 3
Hbond acceptors: 13
cLogP: 6.46
TPSA: 201.70
SMILES: show
O=C(NCCCCNC(COC1=CC=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5
Linker type: Other
Incubation time (hours): 4
Cells: RS4;11
Tested a non-binding E3 control?: NoTested competition with ligand?: NoTested proteaseome inhibitor?: NoProteomics data available?: NoTested engagement in cells?: NoOff-targets reported?: No
Comments: Light-activated PROTAC. The cis form is active.
Contributed by: Yangwode Jing
PROTAC (Active) name: PHOTAC-I-2 - status:Reviewed Edit
Calculated Values
MW: 921.44
Hbond donors: 3
Hbond acceptors: 15
cLogP: 6.08
TPSA: 220.16
SMILES: show
O=C(NCCCNC(COC1=C(OC)C=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1OC)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5
Linker type: Other
Incubation time (hours): 4
Cells: RS4;11
Tested a non-binding E3 control?: NoTested competition with ligand?: NoTested proteaseome inhibitor?: NoProteomics data available?: NoTested engagement in cells?: NoOff-targets reported?: No
Comments: Light-activated PROTAC. The cis form is active.
Contributed by: Yangwode Jing
PROTAC (Active) name: PHOTAC-I-8 - status:Reviewed Edit
Calculated Values
MW: 903.47
Hbond donors: 3
Hbond acceptors: 13
cLogP: 7.24
TPSA: 201.70
SMILES: show
O=C(NCCCCCCNC(COC1=CC=C(/N=N/C2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5
Linker type: Other
Incubation time (hours): 4
Cells: RS4;11
Tested a non-binding E3 control?: NoTested competition with ligand?: NoTested proteaseome inhibitor?: NoProteomics data available?: NoTested engagement in cells?: NoOff-targets reported?: No
Comments: Light-activated PROTAC. The cis form is active.
Contributed by: Yangwode Jing