| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066464
LIG001034
|
ZZ7-16-071
CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@@H]2CCCN(C(=O)c3ccnnc3)C2)ncc1Cl
|
C23H26ClN7O3S 516.027000 |
NRJFKJSTGKYNEC-QGZVFWFLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB171
|
Local ready
Direct docking supported
|
|
E3L066465
LIG001035
|
25
Nc1nn(C2COC2)c2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C27H29N7O4 515.574000 |
NRSXGRIVVGXVRK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM756006; MolGlueDB:MGDB1516
|
Local ready
Direct docking supported
|
|
E3L066466
LIG001036
|
cmp7f
O=C(/C=C/c1ccccc1)NC1CC(=O)NC1=O
|
C13H12N2O3 244.250000 |
NSEUGMATEWSNTO-VOTSOKGWSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB851
|
Local ready
Direct docking supported
|
|
E3L066467
LIG001037
|
F3C-Le
Nc1cc(C(F)(F)F)cc2c1CN(C1CCC(=O)NC1=O)C2=O
|
C14H12F3N3O3 327.262000 |
NSKZOWZDLMSORX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB784
|
Local ready
Direct docking supported
|
|
E3L066468
LIG001038
|
48
CC(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C15H15N3O4 301.302000 |
NSNOZCIBZJXIAD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB73
|
Local ready
Direct docking supported
|
|
E3L066469
LIG001039
|
cmp4a
O=C1CC(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N1
|
C12H7N3O6 289.203000 |
NSOHSQDNWATGPD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB905
|
Local ready
Direct docking supported
|
|
E3L066470
LIG001040
|
UOM-005550
O=C(Cc1ccc(-c2ccncc2)cc1)Nc1ncc(SCc2cccnc2)s1
|
C22H18N4OS2 418.547000 |
NTCZRUCTPQKSCH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1491
|
Local ready
Direct docking supported
|
|
E3L066471
LIG001041
|
analogue 6
O=C1CCC(N2Cc3cccc(CNC(=O)c4ccccc4)c3C2=O)C(=O)N1
|
C21H19N3O4 377.400000 |
NTFFWYRVAPCOPN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1259
|
Local ready
Direct docking supported
|
|
E3L066472
LIG001042
|
UOM-005636
O=C(Cc1ccc(-c2ccccn2)cc1)Nc1ncc(SCc2cccnc2)s1
|
C22H18N4OS2 418.547000 |
NTMPKXHFZBYRAS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1486
|
Local ready
Direct docking supported
|
|
E3L066473
LIG001043
|
9m
COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCN(C(=O)/C=C/C(=O)c7ccc(OC(F)(F)F)cc7)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
|
C37H27F6N7O5 763.655000 |
NTNJNACSEUPCSZ-ACCUITESSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB673
|
Local ready
Direct docking supported
|
|
E3L066474
LIG001044
|
LC-04-101
O=C1CC[C@H](N2Cc3cc(-c4cnc5n4CCN(Cc4ccccc4-c4ccccc4C(F)(F)F)C5)ccc3C2=O)C(=O)N1
|
C33H28F3N5O3 599.613000 |
NTWLYLGZYZHHTE-MHZLTWQESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1273
|
Local ready
Direct docking supported
|
|
E3L066475
LIG001045
|
23a
O=C1CCC(N2Cc3ccc(C4=C[C@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)cc3C2=O)C(=O)N1
|
C25H18BrCl3N2O5 612.691000 |
NUDMYJFNODNYCD-WIIYFNMSSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1239
|
Local ready
Direct docking supported
|
|
E3L066476
LIG001046
|
4
O=C1CCC(N2C(=O)c3cccc(Br)c3C2=O)C(=O)N1
|
C13H9BrN2O4 337.129000 |
NUICQRZENMKDBW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1018
|
Local ready
Direct docking supported
|
|
E3L066477
LIG001047
|
analogue 7
O=C1CCC(N2Cc3cccc(CNC(=O)C(=O)c4ccccc4)c3C2=O)C(=O)N1
|
C22H19N3O5 405.410000 |
NUKTVBPWIGMKNU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1257
|
Local ready
Direct docking supported
|
|
E3L066478
LIG001048
|
EST1027
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)/C=C/c5ccc(C(F)(F)F)cc5)CC4)cn3)nc2n1C1CCCC1
|
C33H35F3N8O2 632.691000 |
NUNSNQLTNNCTMR-NTEUORMPSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB507
|
Local ready
Direct docking supported
|
|
E3L066479
LIG001049
|
ZXH-2-160
O=C1CCC(N2Cc3c(Nc4ccnc(Nc5ccc6c(c5)CCCC6)n4)cccc3C2=O)C(=O)N1
|
C27H26N6O3 482.544000 |
NVMSFSPFEHIROD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1144
|
Local ready
Direct docking supported
|
|
E3L066480
LIG001050
|
Z5000145522
CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1
|
C22H23N3O5S 441.509000 |
NVXXXMBRNWXHGJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB438
|
Local ready
Direct docking supported
|
|
E3L066481
LIG001051
|
NE-004
Nc1ccc(F)c2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C13H10FN3O4 291.238000 |
NWIVTWYAHKCWPH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB803
|
Local ready
Direct docking supported
|
|
E3L066483
LIG001053
|
Compound 1
Cc1cccc(Cl)c1OCCNS(=O)(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C22H23ClN4O6S 506.968000 |
NWQOBAWCOYCRNS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB374
|
Local ready
Direct docking supported
|
|
E3L066484
LIG001054
|
C4
CCOC(=O)C1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3cccc(C)c3)c2=O)C1
|
C28H32N4O5 504.587000 |
NYBAOZRKGXFCLD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1434
|
Local ready
Direct docking supported
|