| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066380
LIG000950
|
31
COc1cc2ccc(CNc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc2cc1OC
|
C26H25N3O5 459.502000 |
MNFHBIPAWRKQNZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB625
|
Local ready
Direct docking supported
|
|
E3L066381
LIG000951
|
LIG000951
CC(=O)N[C@H](C(=O)N1C[C@H](O)[C@H](F)[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C
|
C24H31FN4O4S 490.601000 |
MNNVXLLCYGGFOQ-VNYTWHDVSA-N | P40337, Q15369 | Elongin-C |
BindingDB, e3_ligand
BindingDB:BDBM50628930; e3_ligand:16
|
Local ready
Direct docking supported
|
|
E3L066382
LIG000952
|
LIG000952
CC(=O)N[C@H](C(=O)N1C[C@H](O)[C@@H](F)[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C
|
C24H31FN4O4S 490.601000 |
MNNVXLLCYGGFOQ-YOUFYPILSA-N | P40337 | - |
e3_ligand
e3_ligand:5
|
Local ready
Direct docking supported
|
|
E3L066383
LIG000953
|
19
COc1cccc(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c1
|
C21H19N3O5 393.399000 |
MNOPHTXOYIDKKA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB633
|
Local ready
Direct docking supported
|
|
E3L066384
LIG000954
|
27c
CC1CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)CCC1(F)F
|
C23H29ClF2N6O2 494.974000 |
MOBUBSZJEOKULO-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, MolGlueDB
BindingDB:BDBM50511628; MolGlueDB:MGDB427
|
Local ready
Direct docking supported
|
|
E3L066385
LIG000955
|
compound 11
O=C1CCC(n2cc(C(O)c3ccsc3)nn2)C(=O)N1
|
C12H12N4O3S 292.320000 |
MPKZKTBKUBYEAJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1043
|
Local ready
Direct docking supported
|
|
E3L066386
LIG000956
|
NE-007
O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1
|
C13H9FN2O4 276.223000 |
MPQLCQKBYRSPNA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, e3_ligand, MolGlueDB
BindingDB:BDBM511657; e3_ligand:82; MolGlueDB:MGDB1002
|
Local ready
Direct docking supported
|
|
E3L066389
LIG000959
|
DS21
Cn1cc(-n2cnc3c(NCc4ccc(-c5ccccn5)cc4)nc(N4CCOCC4)nc32)cn1
|
C25H25N9O 467.537000 |
MQFPSSOXZJCSMW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB552
|
Local ready
Direct docking supported
|
|
E3L066390
LIG000960
|
analogue 9
O=C1CCC(N2Cc3cccc(CNC(=O)C(F)(F)c4ccccc4)c3C2=O)C(=O)N1
|
C22H19F2N3O4 427.407000 |
MQNPLOOPOAFFSB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1258
|
Local ready
Direct docking supported
|
|
E3L066391
LIG000961
|
ALV-07-038-02
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCCCOc5ccc(CN6CCC(c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)cc5)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C53H62N10O6 935.143000 |
MQVKPDGHXUHTJD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1529
|
Local ready
Direct docking supported
|
|
E3L066392
LIG000962
|
SAB401
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCOCCOCCOCC(=O)NCc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C48H59N11O10 950.067000 |
MQYZKIADGHEPMA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB41
|
Local ready
Direct docking supported
|
|
E3L066393
LIG000963
|
IBG3
Cc1sc2c(c1C)C(c1ccc(CNC(=O)c3ccc(-c4ccc(C5=N[C@@H](CC(=O)OC(C)(C)C)c6nnc(C)n6-c6sc(C)c(C)c65)cc4)cc3)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
|
C54H57N9O5S2 976.242000 |
MRIUQCAXSFYTQZ-YATWDLPUSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB270
|
Local ready
Direct docking supported
|
|
E3L066394
LIG000964
|
CM-3
Cc1ccc(NC(=O)CCCOc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1Cl
|
C24H24ClN3O5 469.925000 |
MRPIWYCYCKIGHP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1454
|
Local ready
Direct docking supported
|
|
E3L066395
LIG000965
|
Lib-B-6A
O=C(COc1ccccc1-c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)N/N=C/c1ccccc1-c1ccc(C(F)(F)F)cc1
|
C35H27F3N4O5 640.618000 |
MSDQPSDRFFHMPH-KZEIVMGFSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB869
|
Local ready
Direct docking supported
|
|
E3L066396
LIG000966
|
Z5000145518
Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c1
|
C20H19N3O5S 413.455000 |
MSGIMIUTQKVWSI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB379
|
Local ready
Direct docking supported
|
|
E3L066397
LIG000967
|
cmp5a
Nc1cccc2c1C(=O)N(C1CC(=O)NC1=O)C2=O
|
C12H9N3O4 259.221000 |
MSHTVRYXGFREAN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB824
|
Local ready
Direct docking supported
|
|
E3L066398
LIG000968
|
23
O=C1CCC(N2Cc3cc(NC4=NOC5C=C(F)C=CC45)ccc3C2=O)C(=O)N1
|
C20H17FN4O4 396.378000 |
MSUPGNBTTYIWAD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1081
|
Local ready
Direct docking supported
|
|
E3L066399
LIG000969
|
22a
Cc1ccc(NC(=O)NCc2ccc3nnn(C4CCC(=O)NC4=O)c(=O)c3c2)cc1Cl
|
C21H19ClN6O4 454.874000 |
MSXMWXLIMDYAFF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB353
|
Local ready
Direct docking supported
|
|
E3L066400
LIG000970
|
LL-K12-1
Cn1cc(-n2cnc3c(NCc4nc5cc(Cl)c(Cl)cc5[nH]4)nc(N4CCNCC4)nc32)cn1
|
C21H21Cl2N11 498.382000 |
MTDUZFHXWZPOIU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB553
|
Local ready
Direct docking supported
|
|
E3L066401
LIG000971
|
RO8994
COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C31H31Cl2FN4O4 613.517000 |
MURAVORBGFDSMA-ISKXDESKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, e3_ligand
BindingDB:BDBM50446191; e3_ligand:90
|
Local ready
Direct docking supported
|