| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066961
LIG001531
|
22j
O=C1CCC(n2nnc3ccc(CNC(=O)Nc4cccc(Cl)c4Cl)cc3c2=O)C(=O)N1
|
C20H16Cl2N6O4 475.292000 |
UJSARNFSDVKYDO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1208
|
Local ready
Direct docking supported
|
|
E3L066962
LIG001532
|
Cl-Le
Nc1cc(Cl)cc2c1CN(C1CCC(=O)NC1=O)C2=O
|
C13H12ClN3O3 293.710000 |
UKKIIMSPHWNLNC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB791
|
Local ready
Direct docking supported
|
|
E3L066963
LIG001533
|
cmp20b
O=C1CCC(NC(=O)OCC2CCCN2)C(=O)N1
|
C11H17N3O4 255.274000 |
UKQUVPXPHSBKIC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB858
|
Local ready
Direct docking supported
|
|
E3L066964
LIG001534
|
I4
Cc1ccc(-n2nc(C#N)c(=O)n(Cc3ccccc3)c2=O)cc1C
|
C19H16N4O2 332.363000 |
UKXYNMMWDONQDT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB240
|
Local ready
Direct docking supported
|
|
E3L066965
LIG001535
|
ZZ5 DCAF16
C=CC(=O)N1CC[C@H](COc2cc3c(cc2-c2c(C)noc2C)ncc2nc(COC)n([C@H](C)c4ccccc4)c23)C1
|
C33H35N5O4 565.674000 |
ULFPPRLUWMTJEI-GGAORHGYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB31
|
Local ready
Direct docking supported
|
|
E3L066966
LIG001536
|
LIG001536
NCC(=O)N[C@H]1CC(=O)NC1=O
|
C6H9N3O3 171.156000 |
ULHWOWQUTFUJPH-VKHMYHEASA-N | Q96SW2 | - |
e3_ligand
e3_ligand:96
|
Local ready
Direct docking supported
|
|
E3L066967
LIG001537
|
6K
Cc1c(OCC(=O)OC(C)(C)C)cccc1N1CCC(=O)NC1=O
|
C17H22N2O5 334.372000 |
ULKLJQSUWDEHOA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB299
|
Local ready
Direct docking supported
|
|
E3L066968
LIG001538
|
DS05
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccc4ccccc4c3)cc2)c2ncn(C(C)C)c2n1
|
C29H32N6O 480.616000 |
UMEITULNPSDKME-RUZDIDTESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1570
|
Local ready
Direct docking supported
|
|
E3L066969
LIG001539
|
8
CCOc1cscc1-c1cn(C2CCC(=O)NC2=O)nn1
|
C13H14N4O3S 306.347000 |
UMHODGBXTIJRCE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1301
|
Local ready
Direct docking supported
|
|
E3L066970
LIG001540
|
22b
O=C1CCC(n2nnc3ccc(CNC(=O)Nc4ccc(Cl)cc4)cc3c2=O)C(=O)N1
|
C20H17ClN6O4 440.847000 |
UMMHJSIZURHIKY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1017
|
Local ready
Direct docking supported
|
|
E3L066971
LIG001541
|
27f
COCC1CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)CCC1(F)F
|
C24H31ClF2N6O3 525.000000 |
UMOMRWVRGOTDAT-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, MolGlueDB
BindingDB:BDBM50511653; MolGlueDB:MGDB751
|
Local ready
Direct docking supported
|
|
E3L066972
LIG001542
|
18
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ncccc3F)cc2)c2ncn(C(C)C)c2n1
|
C24H28FN7O 449.534000 |
UMUOUBHKJVDDCF-GOSISDBHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB194
|
Local ready
Direct docking supported
|
|
E3L066973
LIG001543
|
16a
O=C1CCC(N2C(=O)c3ccc([C@@H]4C[C@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)cc3C2=O)C(=O)N1
|
C25H18BrCl3N2O6 628.690000 |
UNLJYDQMMAMQCI-UAYVXKRGSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB991
|
Local ready
Direct docking supported
|
|
E3L066974
LIG001544
|
QXG-0663
O=C1CCC(N2Cc3c(CNC(=O)c4cnc5ccccc5c4)cccc3C2=O)C(=O)N1
|
C24H20N4O4 428.448000 |
UNOMRBYIVAVAGY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1093
|
Local ready
Direct docking supported
|
|
E3L066976
LIG001546
|
52
O=C1CCC(N2Cc3cc(NC(=O)c4ccc(Oc5ccccc5)cc4)ccc3C2=O)C(=O)N1
|
C26H21N3O5 455.470000 |
UNTZICXADQTICO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1193
|
Local ready
Direct docking supported
|
|
E3L066977
LIG001547
|
16
O=C1CCC(N2Cc3cc(CNC(=O)Nc4ccc(F)cc4)ccc3C2=O)C(=O)N1
|
C21H19FN4O4 410.405000 |
UOIFABFUVWVKFZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1188
|
Local ready
Direct docking supported
|
|
E3L066978
LIG001548
|
LIG001548
O=C1CCC(Nc2cccc(F)c2)C(=O)N1
|
C11H11FN2O2 222.219000 |
UOUNAMQNQADLGF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, e3_ligand
BindingDB:BDBM575212; e3_ligand:147
|
Local ready
Direct docking supported
|
|
E3L066979
LIG001549
|
cmpd 8
O=C1CCC(N2C(=O)c3cccc(Nc4ccnc(NS(=O)(=O)c5ccccc5)n4)c3C2=O)C(=O)N1
|
C23H18N6O6S 506.500000 |
UPEVSXDSZRXFPD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1036
|
Local ready
Direct docking supported
|
|
E3L066980
LIG001550
|
LYG-204
C=CC(=O)NC(Cc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C26H25FN4O5 492.507000 |
UPJMPWNBMQTINR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1331
|
Local ready
Direct docking supported
|
|
E3L066981
LIG001551
|
44
Cc1ccc(NC(=O)NCc2ccc(C(=O)NC3CCC(=O)NC3=O)cc2)cc1Cl
|
C21H21ClN4O4 428.876000 |
UPQKJUKBBWRZJU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB345
|
Local ready
Direct docking supported
|