| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067260
LIG001830
|
LIG001830
O=C1C[C@H](NC(=O)[C@@H]2CCCN2)C(=O)N1
|
C9H13N3O3 211.221000 |
XPUKDCSSTSQWBG-WDSKDSINSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:120
|
Local ready
Direct docking supported
|
|
E3L067261
LIG001831
|
LIG001831
CC1(C)C(=O)N(C2CCC(=O)NC2=O)c2ccccc21
|
C15H16N2O3 272.304000 |
XQDXCKSIXIARKX-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:158
|
Local ready
Direct docking supported
|
|
E3L067262
LIG001832
|
DS43
CC[C@H](CO)Nc1nc(NCc2ccn(-c3cccc(Cl)c3)n2)c2ncn(C(C)C)c2n1
|
C22H27ClN8O 454.966000 |
XQOCHZAMFJBROM-MRXNPFEDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1573
|
Local ready
Direct docking supported
|
|
E3L067263
LIG001833
|
54
Cn1ccc2cc(-c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)ccc21
|
C22H17N3O4 387.395000 |
XRDKPFOAELLOLN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB560
|
Local ready
Direct docking supported
|
|
E3L067264
LIG001834
|
20c
Cc1ccc(S(=O)(=O)CC2CCC(=O)NC2=O)cc1
|
C13H15NO4S 281.333000 |
XRWKXCWLWRLPQL-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50625143; MolGlueDB:MGDB361
|
Local ready
Direct docking supported
|
|
E3L067265
LIG001835
|
LC-05-096(Neg)
CN1C(=O)CC[C@H](N2Cc3cc(-c4cnc5n4CCN(Cc4ccccc4-c4ccccc4Cl)C5)ccc3C2=O)C1=O
|
C33H30ClN5O3 580.088000 |
XRWQQUCCCDKFHB-NDEPHWFRSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1278
|
Local ready
Direct docking supported
|
|
E3L067266
LIG001836
|
48
Cc1ccc(NC(=O)NCc2ccc(N3CCC(=O)NC3=O)cc2)cc1Cl
|
C19H19ClN4O3 386.839000 |
XSGVJWGNWAQBFH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB347
|
Local ready
Direct docking supported
|
|
E3L067267
LIG001837
|
T13
O=C1CCC(N2C(=O)c3cccc(C#CCOCCOCCOCc4ccccc4)c3C2=O)C(=O)N1
|
C27H26N2O7 490.512000 |
XSKJTYYHDWURMD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB970
|
Local ready
Direct docking supported
|
|
E3L067268
LIG001838
|
Z11
COc1ccc(C)cc1N1C[C@H](C(=O)Nc2nc3ccccc3[nH]2)CC1=O
|
C20H20N4O3 364.405000 |
XSNQFQPVHIAZMA-CYBMUJFWSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB661
|
Local ready
Direct docking supported
|
|
E3L067269
LIG001839
|
78
O=C1CCC(N2Cc3cc(NC(=O)C4=Cc5ccc(OC(F)(F)F)cc5OC4)ccc3C2=O)C(=O)N1
|
C24H18F3N3O6 501.417000 |
XSQZMTIDRIDBJN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1207
|
Local ready
Direct docking supported
|
|
E3L067270
LIG001840
|
LC-03-052
O=C1CC[C@H](N2Cc3cc(-c4cnc5n4CCN(Cc4ccccc4-c4ccccc4)C5)ccc3C2=O)C(=O)N1
|
C32H29N5O3 531.616000 |
XTASMSXITLRQEH-MHZLTWQESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1262
|
Local ready
Direct docking supported
|
|
E3L067271
LIG001841
|
ZXH-1-124
COc1ccc(OC)c(-c2nccc(NCC(=O)Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)c1
|
C27H26N6O6 530.541000 |
XTBGZJDQIGZMSI-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM585782; MolGlueDB:MGDB686
|
Local ready
Direct docking supported
|
|
E3L067272
LIG001842
|
44
COc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2n1
|
C24H20N4O5 444.447000 |
XTFMZGLRKNVGSN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB699
|
Local ready
Direct docking supported
|
|
E3L067273
LIG001843
|
24
Nc1nn(C2CC2)c2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C27H29N7O3 499.575000 |
XTOJEKXWALNRFH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM755960; MolGlueDB:MGDB1515
|
Local ready
Direct docking supported
|
|
E3L067274
LIG001844
|
SRI-41315
Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C3CCC3)nc21
|
C22H19N3O2 357.413000 |
XUOTZAUZHWCGHL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB562
|
Local ready
Direct docking supported
|
|
E3L067275
LIG001845
|
DD-1-073
COc1ccc(C(=O)/C=C/C(=O)N2CCN(C(=O)c3ccc(NC(=O)CCCCCCC(=O)NO)cc3)CC2)cc1
|
C30H36N4O7 564.639000 |
XUOZCDNTQACKLD-WUKNDPDISA-N | - | - |
MolGlueDB
MolGlueDB:MGDB651
|
Local ready
Direct docking supported
|
|
E3L067276
LIG001846
|
3
CC12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C(n3cnc4ccccc43)=CCC12Cl
|
C26H31ClN2O 423.000000 |
XUVXFMNMKNUNKI-WWFYVYFMSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB423
|
Local ready
Direct docking supported
|
|
E3L067277
LIG001847
|
21
O=C1CCC(N2Cc3cc(CNC(=O)Nc4ccccc4-c4ccccc4)ccc3C2=O)C(=O)N1
|
C27H24N4O4 468.513000 |
XVIIKLFZGSJDCQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1057
|
Local ready
Direct docking supported
|
|
E3L067278
LIG001848
|
compound 14
COc1c(-c2cn(C3CCC(=O)NC3=O)nn2)csc1C(=O)O
|
C13H12N4O5S 336.329000 |
XVKGDHLDTXNEQJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB615
|
Local ready
Direct docking supported
|
|
E3L067279
LIG001849
|
22
O=C1CCC(N2Cc3cc(CNC(=O)Nc4cc(Cl)cc(Cl)c4)ccc3C2=O)C(=O)N1
|
C21H18Cl2N4O4 461.305000 |
XVWPXDUKGHQJPV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1186
|
Local ready
Direct docking supported
|