| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067112
LIG001682
|
22
CCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C17H19N3O4 329.356000 |
VVIWQOXLAXMQEN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB447
|
Local ready
Direct docking supported
|
|
E3L067113
LIG001683
|
DGY-04-091
COc1cc([C@@H](CC(=O)O)c2ccc(C)c(CN(C)S(=O)(=O)c3ccccc3)c2)cc2nnn(C)c12
|
C26H28N4O5S 508.600000 |
VVWDXVKKAYFKNL-QFIPXVFZSA-N | Q14145 | - |
e3_ligand
e3_ligand:99
Related BindingDB:BDBM304837
|
Local ready
Direct docking supported
|
|
E3L067114
LIG001684
|
HQ002
Cc1cnc(NC(=O)Cc2csc(Nc3cccc(Cl)n3)n2)s1
|
C14H12ClN5OS2 365.871000 |
VWDHDHNMECLICK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB396
|
Local ready
Direct docking supported
|
|
E3L067115
LIG001685
|
50
O=C(/C=C/c1ccccc1)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C22H19N3O4 389.411000 |
VWGBLNAJOOBMEC-UXBLZVDNSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB850
|
Local ready
Direct docking supported
|
|
E3L067116
LIG001686
|
26
COc1cc(CNc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc2ccccc12
|
C25H23N3O4 429.476000 |
VWHMKDZCZPXLDT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB636
|
Local ready
Direct docking supported
|
|
E3L067117
LIG001687
|
17
CCCCOc1ccc(C(=O)NC2CCC(=O)NC2=O)c(F)c1
|
C16H19FN2O4 322.336000 |
VWKWRZUXWYSGOU-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630604; MolGlueDB:MGDB451
|
Local ready
Direct docking supported
|
|
E3L067118
LIG001688
|
78
O=C1CCC(N2C(=O)c3ccc(NC(=O)c4ccccc4)cc3C2=O)C(=O)N1
|
C20H15N3O5 377.356000 |
VXHGTVGBOWRWQD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB955
|
Local ready
Direct docking supported
|
|
E3L067119
LIG001689
|
LL-K12-16
CCn1cnc2c(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)nc(N3CCN(C(=O)CNC(C)=O)CC3)nc21
|
C23H26Cl2N10O2 545.435000 |
VXKPZKMODQZJQW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB471
|
Local ready
Direct docking supported
|
|
E3L067120
LIG001690
|
7
Cc1c[nH]c2c(NS(=O)(=O)c3ccccc3)cccc12
|
C15H14N2O2S 286.356000 |
VYSAFGCOSVNVSQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1404
|
Local ready
Direct docking supported
|
|
E3L067121
LIG001691
|
24
Cc1ccc(N(C)C(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1Cl
|
C23H23ClN4O4 454.914000 |
VYUFGRRPRHRDBV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB324
|
Local ready
Direct docking supported
|
|
E3L067122
LIG001692
|
LIG001692
N[C@@H](CC(=O)O)C(=O)N[C@H]1CC(=O)NC1=O
|
C8H11N3O5 229.192000 |
VZDNYXRNSQYQSE-IMJSIDKUSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:113
|
Local ready
Direct docking supported
|
|
E3L067123
LIG001693
|
dALK-7
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CC(=O)N2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1
|
C47H54ClN9O8S 940.524000 |
WALHUVNJOJHAGJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB274
|
Local ready
Direct docking supported
|
|
E3L067124
LIG001694
|
23
CC[C@H](CO)Nc1nc(NCc2ccc(C3CCCCC3)cc2)c2ncn(C(C)C)c2n1
|
C25H36N6O 436.604000 |
WAMAKAHVPJNLKF-OAQYLSRUSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB221
|
Local ready
Direct docking supported
|
|
E3L067125
LIG001695
|
9a
Cn1c(=O)c2c(c3cc(Nc4nc(N5CCC(F)(F)[C@@H](CO)C5)ncc4Cl)ccc31)N[C@H](C1CC1)C(F)(F)CO2
|
C26H27ClF4N6O3 582.986000 |
WAMJDHFDXROKDA-SPLOXXLWSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB530
Related BindingDB:BDBM50606282; Related BindingDB:BDBM50606281
|
Local ready
Direct docking supported
|
|
E3L067126
LIG001696
|
6
O=C1CCC(N2Cc3c(ccc4c3OCC43CCC(Cc4ccccc4)CC3)C2=O)C(=O)N1
|
C27H28N2O4 444.531000 |
WAQOILQUJGEOQX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1457
|
Local ready
Direct docking supported
|
|
E3L067127
LIG001697
|
26
Nc1cccc(C2CCC(=O)NC2=O)c1
|
C11H12N2O2 204.229000 |
WASRWSKUJBTVIY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB815
|
Local ready
Direct docking supported
|
|
E3L067128
LIG001698
|
Boc-VcN
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC(=O)NC1=O
|
C14H23N3O5 313.354000 |
WBNWFNOAYZFHSC-HTLJXXAVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB131
|
Local ready
Direct docking supported
|
|
E3L067129
LIG001699
|
18
CC(C)c1n[nH]c2c(NCc3ccc(-n4ccnc4)cc3)nc(SCCN)nc12
|
C20H24N8S 408.535000 |
WBTZHHCDIMUWMI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB150
|
Local ready
Direct docking supported
|
|
E3L067130
LIG001700
|
27b
Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CCC(F)(F)CC4)ncc3Cl)ccc21
|
C22H27ClF2N6O2 480.947000 |
WBWCRVDICXCMSW-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, MolGlueDB
BindingDB:BDBM50511627; MolGlueDB:MGDB549
|
Local ready
Direct docking supported
|
|
E3L067131
LIG001701
|
LL-K12-14
CCn1cnc2c(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)nc(N3CCN(c4ccccn4)CC3)nc21
|
C24H24Cl2N10 523.432000 |
WCFYBRFBSQVDAJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB473
|
Local ready
Direct docking supported
|