| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065776
LIG000346
|
Entry 7
CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5CCN(CCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)cc4)n3)C2)C1=O
|
C41H49N11O6 791.914000 |
FCQXHLPMLGYZHN-ZZTVPSNHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB571
|
Local ready
Direct docking supported
|
|
E3L065777
LIG000347
|
15
Cn1nnc(-c2cccc(Nc3cc(N[C@H]4CC[C@H](N)CC4)nc(Cc4ccccc4)n3)c2)n1
|
C25H29N9 455.570000 |
FDLDUMHPLZJCAJ-MXVIHJGJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1423
|
Local ready
Direct docking supported
|
|
E3L065778
LIG000348
|
dALK-3
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1
|
C47H56ClN9O7S 926.541000 |
FEAOBICEELAVMJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB284
|
Local ready
Direct docking supported
|
|
E3L065779
LIG000349
|
LIG000349
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(c2ccno2)C(C)C)cc1
|
C24H28N4O4S 468.579000 |
FEBNOSAILPPWOO-QSJYAPKHSA-N | P40337 | - |
e3_ligand
e3_ligand:166
|
Local ready
Direct docking supported
|
|
E3L065780
LIG000350
|
15
CC[C@H](CO)Nc1nc(NCc2ccc(-c3cc(=O)cc[nH]3)cc2)c2ncn(C(C)C)c2n1
|
C24H29N7O2 447.543000 |
FEFVVRFDRMAYTQ-GOSISDBHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB196
|
Local ready
Direct docking supported
|
|
E3L065781
LIG000351
|
LIG000351
O=C1CCC(NC(=O)c2ccccc2F)C(=O)N1
|
C12H11FN2O3 250.229000 |
FEWONMHHJRHOFU-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:100
|
Local ready
Direct docking supported
|
|
E3L065782
LIG000352
|
9d
O=Cc1ccc(-c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
|
C20H16N2O4 348.358000 |
FFGFROBXDJSOKL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1378
|
Local ready
Direct docking supported
|
|
E3L065783
LIG000353
|
LIG000353
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cncc(-n2ccc3c(C(=O)O)cccc32)c1)C(C)C
|
C27H33N5O4 491.592000 |
FFGHOKFUXXWKFH-OWSXEPHWSA-N | - | - |
e3_ligand
e3_ligand:55
|
Local ready
Direct docking supported
|
|
E3L065784
LIG000354
|
DS34
CC[C@H](CO)Nc1nc(NCCCc2ccco2)c2ncn(C(C)C)c2n1
|
C19H28N6O2 372.473000 |
FFGLLCTUGIAYAM-CQSZACIVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1576
|
Local ready
Direct docking supported
|
|
E3L065785
LIG000355
|
BIO-2007817 parkin
CO[C@H](C(=O)N1Cc2c(-c3ccc(C(=O)N4CCCc5ccccc54)cc3)cnn2C[C@H]1C(C)C)c1cnn(C)c1
|
C32H36N6O3 552.679000 |
FFUVDKANSJZSAK-JDXGNMNLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB600
|
Local ready
Direct docking supported
|
|
E3L065786
LIG000356
|
BIO-20070818 Parkin
CO[C@@H](C(=O)N1Cc2c(-c3ccc(C(=O)N4CCCc5ccccc54)cc3)cnn2C[C@H]1C(C)C)c1cnn(C)c1
|
C32H36N6O3 552.679000 |
FFUVDKANSJZSAK-MFMCTBQISA-N | - | - |
MolGlueDB
MolGlueDB:MGDB599
|
Local ready
Direct docking supported
|
|
E3L065787
LIG000357
|
Z7
O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(Br)cn1
|
C16H13BrN4O2 373.210000 |
FGODKUDXJWXULG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB861
|
Local ready
Direct docking supported
|
|
E3L065788
LIG000358
|
6
Cc1ccc(S(=O)(=O)Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
|
C20H17N3O6S 427.438000 |
FHOKCLYOXCMOTJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB363
|
Local ready
Direct docking supported
|
|
E3L065789
LIG000359
|
26
CC(C)(c1ccc(OCC2CN(S(C)(=O)=O)C2)cc1)c1cc(Cl)c(OCC2CCN(C(=O)CCCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(C#N)c1
|
C45H51ClN6O9S 887.456000 |
FIMLXDVENMMCET-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1557
|
Local ready
Direct docking supported
|
|
E3L065790
LIG000360
|
LIG000360
Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C14H12N2O4 272.260000 |
FIRKPGPRAMCBHV-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:138
|
Local ready
Direct docking supported
|
|
E3L065791
LIG000361
|
7
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5[nH]nc(C(F)(F)F)c5n4)ccc3C2=O)C(=O)N1
|
C25H23F3N6O3 512.492000 |
FJMVTNGVNVQTKX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1498
|
Local ready
Direct docking supported
|
|
E3L065792
LIG000362
|
6e
O=C1CCC(N2Cc3c(C#CCOCc4ccccc4)cccc3C2=O)C(=O)N1
|
C23H20N2O4 388.423000 |
FJVPFVVOKGRFNA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1368
|
Local ready
Direct docking supported
|
|
E3L065793
LIG000363
|
10
CC(C)(c1ccc(OCC2CCN(C(=O)CCCCC#Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)c1ccc(OC[C@H](O)CCl)cc1
|
C44H48ClN3O8 782.334000 |
FKCYCEPXNQIVIZ-OVFDOZPJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1541
|
Local ready
Direct docking supported
|
|
E3L065794
LIG000364
|
L14
CCOC(=O)C1CCCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)n(Cc3ccccc3)c2=O)C1
|
C26H28N4O5 476.533000 |
FLELDYZUENWXCI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB492
|
Local ready
Direct docking supported
|
|
E3L065795
LIG000365
|
MGD-18
CN1CCN(Cc2ccc(CNc3cccc4c3CN(C)N(C3CCC(=O)NC3=O)C4=O)cc2)CC1
|
C27H34N6O3 490.608000 |
FLLLYDIINYIHAU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB581
|
Local ready
Direct docking supported
|