| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067091
LIG001661
|
cmp60
O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCN(c6ccc(F)cc6F)CC5)cc4)cccc3C2=O)C(=O)N1
|
C31H30F2N4O4 560.601000 |
VQDRNQBRRSNVOR-MHZLTWQESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB914
|
Local ready
Direct docking supported
|
|
E3L067092
LIG001662
|
cmp13
O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(c6ccc(F)cc6F)CC5)cc4)cccc3C2=O)C(=O)N1
|
C31H30F2N4O4 560.601000 |
VQDRNQBRRSNVOR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1107
|
Local ready
Direct docking supported
|
|
E3L067093
LIG001663
|
QXG-131-5
O=C1CCC(N2Cc3cc(NC(=O)c4cnc5ccccn45)ccc3C2=O)C(=O)N1
|
C21H17N5O4 403.398000 |
VQGPONHHMUCOQM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1063
|
Local ready
Direct docking supported
|
|
E3L067095
LIG001665
|
TD-188
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)Nc1ccc(OCCOCCOCCNc3cccc4nnn(C5CCC(=O)NC5=O)c(=O)c34)cc1)c1nnc(C)n1-2
|
C43H43ClN10O7S 879.400000 |
VQRXXRRZSHERKG-BONSOQDYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB243
|
Local ready
Direct docking supported
|
|
E3L067096
LIG001666
|
QXG-131-4
O=C1CCC(N2Cc3cc(NC(=O)c4cn5ccc(C(F)(F)F)cc5n4)ccc3C2=O)C(=O)N1
|
C22H16F3N5O4 471.395000 |
VRDNFUSFZPRPEI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1066
|
Local ready
Direct docking supported
|
|
E3L067097
LIG001667
|
Lib-B-18J
O=C(COc1ccccc1-c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)N/N=C/c1nn(Cc2ccccc2)c2ccccc12
|
C36H30N6O5 626.673000 |
VRHAKFQIHFDVMX-SAEPALGJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB872
|
Local ready
Direct docking supported
|
|
E3L067098
LIG001668
|
SB1349
COc1ccc(C(=O)/C=C/C(=O)N2CCN(c3cc4c(cc3[N+](=O)[O-])-c3c(cnn3-c3ccc(C(=O)O)cc3)C(C)(C)O4)CC2)cc1
|
C34H31N5O8 637.649000 |
VSEPVBMLJTUUOX-OUKQBFOZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB658
|
Local ready
Direct docking supported
|
|
E3L067099
LIG001669
|
LIG001669
O=C1CC(N2C(=O)c3ccccc3C2=O)C(=O)N1
|
C12H8N2O4 244.206000 |
VSNMIAXOGBPRIQ-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:153
|
Local ready
Direct docking supported
|
|
E3L067100
LIG001670
|
9a
COc1ccc(/C=C/C(=O)N2CCN(c3ccc(-n4nnc5c(=O)[nH]c6ccc(-c7ccc(OC)nc7)cc6c54)cc3C(F)(F)F)CC2)cc1
|
C36H30F3N7O4 681.675000 |
VSNXQLWQINHFSS-LHHJGKSTSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1260
|
Local ready
Direct docking supported
|
|
E3L067101
LIG001671
|
JP-2-217
COc1ccc(C(=O)/C=C/C(=O)N2CCN(C(=O)COc3ccc(-c4csc(N5CCOCC5)n4)cc3)CC2)cc1
|
C30H32N4O6S 576.675000 |
VSSVYPVREOGSLZ-ZHACJKMWSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB652
|
Local ready
Direct docking supported
|
|
E3L067102
LIG001672
|
LYG-103
O=C1CCC(N2Cc3cc(CNC(=O)/C(Cc4ccc(Br)cc4)=N/O)ccc3C2=O)C(=O)N1
|
C23H21BrN4O5 513.348000 |
VTCJNNKXXHGPMU-OVVQPSECSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1322
|
Local ready
Direct docking supported
|
|
E3L067103
LIG001673
|
L05
O=C1CCC(N2Cc3c(OCCOCCOCCOCc4ccccc4)cccc3C2=O)C(=O)N1
|
C26H30N2O7 482.533000 |
VTCPHPGJUADUOX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1116
|
Local ready
Direct docking supported
|
|
E3L067104
LIG001674
|
9d
Cc1ccc(NC(=O)CCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cc1Cl
|
C23H22ClN3O4 439.899000 |
VTNTURHOFZDIDN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB337
|
Local ready
Direct docking supported
|
|
E3L067105
LIG001675
|
ML 1-52
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCN(C(=O)c3ccc(C=O)nc3)CC1)c1nnc(C)n1-2
|
C30H28ClN7O3S 602.120000 |
VTWNUPGRZQTXTK-DEOSSOPVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB248
|
Local ready
Direct docking supported
|
|
E3L067106
LIG001676
|
72
Cc1ccc2c(c1)OCC(C(=O)Nc1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)=C2
|
C24H21N3O5 431.448000 |
VUGINFJQDOWAIE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB368
|
Local ready
Direct docking supported
|
|
E3L067107
LIG001677
|
cmp59
C[C@@]1(N2Cc3c(OCc4ccc(CN5CCN(c6ccc(F)cc6F)CC5)cc4)cccc3C2=O)CCC(=O)NC1=O
|
C32H32F2N4O4 574.628000 |
VUMSEXRONNJJOD-JGCGQSQUSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB9
|
Local ready
Direct docking supported
|
|
E3L067108
LIG001678
|
cmp58
C[C@]1(N2Cc3c(OCc4ccc(CN5CCN(c6ccc(F)cc6F)CC5)cc4)cccc3C2=O)CCC(=O)NC1=O
|
C32H32F2N4O4 574.628000 |
VUMSEXRONNJJOD-YTTGMZPUSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB16
|
Local ready
Direct docking supported
|
|
E3L067109
LIG001679
|
compound15
COC(=O)c1scc(-c2cn(C3CCC(=O)NC3=O)nn2)c1OC
|
C14H14N4O5S 350.356000 |
VUQDWWAXCWAUTG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB604
|
Local ready
Direct docking supported
|
|
E3L067110
LIG001680
|
4
O=C1CCC(N2Cc3cc(NCc4cc5ccccc5o4)ccc3C2=O)C(=O)N1
|
C22H19N3O4 389.411000 |
VUWPDOPKDHGWFT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1223
|
Local ready
Direct docking supported
|
|
E3L067111
LIG001681
|
D2
O=c1c(-c2ccccn2)cn(C2CC2)c(=O)n1Cc1ccccc1
|
C19H17N3O2 319.364000 |
VVICBRKZYCWXJF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB890
|
Local ready
Direct docking supported
|