| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065441
LIG000011
|
LIG000011
O=C1CCC(n2nnc3ccccc3c2=O)C(=O)N1
|
C12H10N4O3 258.237000 |
ADRMBWHHZXMLQT-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:149
|
Local ready
Direct docking supported
|
|
E3L065442
LIG000012
|
MMH1
C=CC(=O)Nc1ccc(C2=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n3-c3sc(C)c(C)c32)cc1
|
C26H29N5O3S 491.617000 |
AEEGEVCKDJFBRN-IBGZPJMESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB35
|
Local ready
Direct docking supported
|
|
E3L065444
LIG000014
|
T16
O=C1CCC(N2C(=O)c3ccc(C(=O)NCCOCCOCCOCc4ccccc4)cc3C2=O)C(=O)N1
|
C27H29N3O8 523.542000 |
AFEBHRCWGQPGHD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB949
|
Local ready
Direct docking supported
|
|
E3L065445
LIG000015
|
LIG000015
N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H]1CC(=O)NC1=O
|
C15H16N4O3 300.318000 |
AFHBLKCPRQFQSW-JQWIXIFHSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:123
|
Local ready
Direct docking supported
|
|
E3L065446
LIG000016
|
HQ015
Cc1cccc(Nc2nc(CC(=O)NC(C)c3ccccc3)cs2)n1
|
C19H20N4OS 352.463000 |
AFLHQKFCAUAZBN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB375
|
Local ready
Direct docking supported
|
|
E3L065447
LIG000017
|
DS61
CC[C@H](CO)Nc1nc(NCc2ccc(OCCO)cc2)c2ncn(C(C)C)c2n1
|
C21H30N6O3 414.510000 |
AFLLXNOWMGJTAA-MRXNPFEDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1621
|
Local ready
Direct docking supported
|
|
E3L065448
LIG000018
|
cmp4b
O=C1CC(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1
|
C12H7N3O6 289.203000 |
AGHOOKDMLASOHW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB904
|
Local ready
Direct docking supported
|
|
E3L065449
LIG000019
|
30
CN(C)c1n[nH]c2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C26H29N7O3 487.564000 |
AGNJJBASPCXFPI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM755916; MolGlueDB:MGDB1521
|
Local ready
Direct docking supported
|
|
E3L065450
LIG000020
|
DS38
CC[C@H](CO)Nc1nc(NCCC2CCCCCCC2)c2ncn(C(C)C)c2n1
|
C22H38N6O 402.587000 |
AGPBTTVFQYIENC-GOSISDBHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1592
|
Local ready
Direct docking supported
|
|
E3L065451
LIG000021
|
I2
Cc1cccc(-n2nc(C#N)c(=O)n(Cc3ccccc3)c2=O)c1
|
C18H14N4O2 318.336000 |
AHLDRYNXVHWXQI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB306
|
Local ready
Direct docking supported
|
|
E3L065452
LIG000022
|
5
CN(C)[C@H]1CC[C@H](Nc2nc(Cc3ccccc3)nc3[nH]c4cc(C(=O)O)ccc4c23)CC1
|
C26H29N5O2 443.551000 |
AIIOPEUOBAYYJE-WGSAOQKQSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1413
|
Local ready
Direct docking supported
|
|
E3L065453
LIG000023
|
6
CC(C)(O)c1cc2c(cnn2CCCCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1NC(=O)c1cccc(C(F)(F)F)n1
|
C39H42F3N7O6 761.802000 |
AIYLTRIUQAADGD-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50639834; MolGlueDB:MGDB122
|
Local ready
Direct docking supported
|
|
E3L065454
LIG000024
|
LIG000024
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C30H40N4O3 504.675000 |
AIYRKWQJUXHQEF-QNMIOERPSA-N | Q13490 | - |
e3_ligand
e3_ligand:1
|
Local ready
Direct docking supported
|
|
E3L065455
LIG000025
|
1J
CC(C)(C)OC(=O)COc1cccc(-c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1
|
C25H26N2O6 450.491000 |
AJAXRVTZEWVVGY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB101
|
Local ready
Direct docking supported
|
|
E3L065456
LIG000026
|
11f
COc1c(N)c(F)cc(C(=O)NC2CCC(=O)NC2=O)c1F
|
C13H13F2N3O4 313.260000 |
AJJIOMGESOLWQL-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630601; MolGlueDB:MGDB620
|
Local ready
Direct docking supported
|
|
E3L065457
LIG000027
|
LYG-415
COc1ccc2c(c1)C=C(C(=O)NCc1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)CO2
|
C25H23N3O6 461.474000 |
AJSHYNZLOKLWIT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1358
|
Local ready
Direct docking supported
|
|
E3L065458
LIG000028
|
cmp15
O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(c6cccc(F)c6)CC5)cc4)cccc3C2=O)C(=O)N1
|
C31H31FN4O4 542.611000 |
AJSMXYYYHFPDJA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1110
|
Local ready
Direct docking supported
|
|
E3L065459
LIG000029
|
MT-802
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(CCOCCOCC(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
|
C41H41N9O8 787.834000 |
AJTLGUJXIKEZCQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB782
|
Local ready
Direct docking supported
|
|
E3L065460
LIG000030
|
21
COc1ccc2cc(CNc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
|
C25H23N3O4 429.476000 |
AJWUTMRBZOMJOJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB703
|
Local ready
Direct docking supported
|
|
E3L065461
LIG000031
|
22
O=C1CCC(N2Cc3cc(NCc4ccc5cc(O)ccc5c4)ccc3C2=O)C(=O)N1
|
C24H21N3O4 415.449000 |
AKZNSJMAAPBMQT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1226
|
Local ready
Direct docking supported
|