| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067388
LIG001958
|
6
CNC(=O)COc1cc2cc(Nc3nc(N4CCC(F)(F)CC4)ncc3Cl)ccc2n(C)c1=O
|
C22H23ClF2N6O3 492.914000 |
ZNBLXQLZJFXPAJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1291
|
Local ready
Direct docking supported
|
|
E3L067389
LIG001959
|
43
COc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cnc2c1
|
C24H20N4O5 444.447000 |
ZNHJWWINKUGUKI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB700
|
Local ready
Direct docking supported
|
|
E3L067390
LIG001960
|
ZXH-1-160
O=C1CCC(N2Cc3c(NC4=NC(N5CCN(c6cccc(C(F)(F)F)c6)CC5)NC=C4)cccc3C2=O)C(=O)N1
|
C28H28F3N7O3 567.572000 |
ZNKWFVWLEZXCHV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1152
|
Local ready
Direct docking supported
|
|
E3L067391
LIG001961
|
BTR2000
CC(C)CC1NC(=O)C(CC(=O)O)NC(=O)C2CCCN2C(=O)C(N)CSCc2cccc(c2)CSCC(C(N)=O)NC1=O
|
C29H42N6O7S2 650.824000 |
ZNQGMYJLKRHAKK-UHFFFAOYSA-N | Q9Y2M5 | - |
e3_ligand
e3_ligand:94
|
Local ready
Direct docking supported
|
|
E3L067392
LIG001962
|
8
O=C1CCC(N2C(=O)c3ccc(CNC(=O)Nc4ccccc4)cc3C2=O)C(=O)N1
|
C21H18N4O5 406.398000 |
ZNQPVMQSJWVVQW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB999
|
Local ready
Direct docking supported
|
|
E3L067394
LIG001964
|
64
O=C1CCC(N2C(=O)c3cccc(NC(=O)C4CC4)c3C2=O)C(=O)N1
|
C17H15N3O5 341.323000 |
ZNSIEKYJZZEJNA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB978
|
Local ready
Direct docking supported
|
|
E3L067395
LIG001965
|
BC-AN1
CC(C)CC1C(=O)N2CCCC2C2OC(NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)CC4N(C)C3)(C(C)C)C(=O)N12
|
C32H40BrN5O4 638.607000 |
ZOBUOKPWCAUBFK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB157
|
Local ready
Direct docking supported
|
|
E3L067396
LIG001966
|
LL-K12-7
CCn1cnc2c(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)nc(N3CCC(NC(C)=O)CC3)nc21
|
C22H25Cl2N9O 502.410000 |
ZOOFMENFTSCQCU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB465
|
Local ready
Direct docking supported
|
|
E3L067397
LIG001967
|
6a
O=C1CCC(N2Cc3c(C#CCNc4ccccc4)cccc3C2=O)C(=O)N1
|
C22H19N3O3 373.412000 |
ZOVZDPIJENRPQI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1365
|
Local ready
Direct docking supported
|
|
E3L067398
LIG001968
|
LYG-303
O=C1CCC(N2Cc3cc(CNC(=O)C4CNc5ccccc5C4)ccc3C2=O)C(=O)N1
|
C24H24N4O4 432.480000 |
ZOXDGFNYKAGYKB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1337
|
Local ready
Direct docking supported
|
|
E3L067399
LIG001969
|
28
CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)CC2
|
C27H34N4O6 510.591000 |
ZPTRXVBQVGCPTC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB108
|
Local ready
Direct docking supported
|
|
E3L067400
LIG001970
|
DS52
CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(NCCc3cn[nH]c3)nc21
|
C25H27N9 453.554000 |
ZPVLGUHALYPMCR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1602
|
Local ready
Direct docking supported
|
|
E3L067401
LIG001971
|
7
O=C1CCC(N2Cc3cc(CNC(=O)Nc4ccccc4)ccc3C2=O)C(=O)N1
|
C21H20N4O4 392.415000 |
ZPXMXQSBKKTDDF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1190
|
Local ready
Direct docking supported
|
|
E3L067403
LIG001973
|
cmp5b
Nc1ccc2c(c1)C(=O)N(C1CC(=O)NC1=O)C2=O
|
C12H9N3O4 259.221000 |
ZQAUOFWDVHCTPN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB830
|
Local ready
Direct docking supported
|
|
E3L067404
LIG001974
|
18
O=C1CCC(N2C(=O)c3cccc(N4CCC(F)(F)C4)c3C2=O)C(=O)N1
|
C17H15F2N3O4 363.320000 |
ZQHPZLPHJQOGBO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1026
|
Local ready
Direct docking supported
|
|
E3L067405
LIG001975
|
ZXH-2-153
COc1cc(F)ccc1C1N=C(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c2nc[nH]c2N1
|
C25H22FN7O4 503.494000 |
ZQNXKDDLIYKFBH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB638
|
Local ready
Direct docking supported
|
|
E3L067406
LIG001976
|
17
CC(C)c1n[nH]c2c(NCc3ccc(-n4ccnc4)cc3)nc(SCCO)nc12
|
C20H23N7OS 409.519000 |
ZREJXWSONCYAME-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB151
|
Local ready
Direct docking supported
|
|
E3L067407
LIG001977
|
ZXH-1-178
COc1cc(F)ccc1C1N=C(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C=CN1
|
C24H22FN5O4 463.469000 |
ZRJGJRTZKINRCG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB637
|
Local ready
Direct docking supported
|
|
E3L067408
LIG001978
|
21 (BWA-6047)
COc1ccc(C(C)(C)c2cc(Cl)c(OCC3CCN(C(=O)CCCCNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)c(C#N)c2)cc1
|
C41H44ClN5O7 754.284000 |
ZRKCZDWPLGQXOZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1552
|
Local ready
Direct docking supported
|
|
E3L067409
LIG001979
|
dALK-8
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CC(=O)N2CCN(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1
|
C47H53ClFN9O8S 958.514000 |
ZRQAZFMFWORBSK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB275
|
Local ready
Direct docking supported
|