| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065819
LIG000389
|
12
CC(C)c1n[nH]c2c(NCc3ccc(-n4cccn4)cc3)nc(SCCCN(C)C)nc12
|
C23H30N8S 450.616000 |
FVEXCTSKEZHNRT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB146
|
Local ready
Direct docking supported
|
|
E3L065820
LIG000390
|
analogue 4
O=C1CCC(N2Cc3cccc(CNC(=O)Nc4ccccc4)c3C2=O)C(=O)N1
|
C21H20N4O4 392.415000 |
FVLDKEMEIYNICV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB765
|
Local ready
Direct docking supported
|
|
E3L065821
LIG000391
|
LC-02-105
Cc1ccc(Nc2ccn3ncc(-c4ccc5c(c4)CN([C@H]4CCC(=O)NC4=O)C5=O)c3n2)cc1Cl
|
C26H21ClN6O3 500.946000 |
FVQQKZPSORNQPE-NRFANRHFSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB358
|
Local ready
Direct docking supported
|
|
E3L065822
LIG000392
|
32
CC[C@H](CO)Nc1nc(NCc2ccc(C)cc2)c2ncn(C(C)C)c2n1
|
C20H28N6O 368.485000 |
FVSKZPZOOUHRBO-MRXNPFEDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB192
|
Local ready
Direct docking supported
|
|
E3L065823
LIG000393
|
3
Cc1noc(C)c1-c1ccc2c(c1)[nH]c1nc(Cc3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)c12
|
C28H30N6O 466.589000 |
FVSVMMQIGCWHHO-MEMLXQNLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1411
|
Local ready
Direct docking supported
|
|
E3L065824
LIG000394
|
dWIZ-1
CCN1CCCC[C@@H]1[C@@H](C)Oc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C22H29N3O4 399.491000 |
FVZCFUKXGUUDBQ-QSFPRURJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB482
|
Local ready
Direct docking supported
|
|
E3L065826
LIG000396
|
22
CN(c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C1CCCCC1
|
C20H23N3O4 369.421000 |
FWSCWIKSWBRULF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB516
|
Local ready
Direct docking supported
|
|
E3L065827
LIG000397
|
6
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5[nH]ncc5n4)ccc3C2=O)C(=O)N1
|
C24H24N6O3 444.495000 |
FWYWLVJGQNRTAP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM756036; MolGlueDB:MGDB1497
|
Local ready
Direct docking supported
|
|
E3L065828
LIG000398
|
23
CC(C)(C)OC(=O)N1CC2(C1)CN(c1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
|
C23H26N4O6 454.483000 |
FXCPSBGGAPLXHT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB105
|
Local ready
Direct docking supported
|
|
E3L065829
LIG000399
|
ML 1-30
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCN(C(=O)c3ccc(S(=O)(=O)F)[nH]3)CC1)c1nnc(C)n1-2
|
C28H27ClFN7O4S2 644.154000 |
FXIYLXIEMLFZJA-NRFANRHFSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB250
|
Local ready
Direct docking supported
|
|
E3L065830
LIG000400
|
DS46
CC[C@H](CO)Nc1nc(NCCCn2c(=O)oc3ccccc32)c2ncn(C(C)C)c2n1
|
C22H29N7O3 439.520000 |
FXNPHDXULTZZCZ-OAHLLOKOSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1569
|
Local ready
Direct docking supported
|
|
E3L065831
LIG000401
|
Entry 20
CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc5c(c4)CCN(CC4CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC4)C5)n3)C2)C1=O
|
C42H49N11O6 803.925000 |
FXNWDJMYILNTOQ-UEACTRMWSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB575
|
Local ready
Direct docking supported
|
|
E3L065832
LIG000402
|
25
CC(C)(c1ccc(OCC2CCOCC2)cc1)c1cc(Cl)c(OCC2CCN(C(=O)CCCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(C#N)c1
|
C46H52ClN5O8 838.402000 |
FXQBKDQCAVXFAL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1556
|
Local ready
Direct docking supported
|
|
E3L065833
LIG000403
|
LC-04-104
O=C1CC[C@H](N2Cc3cc(-c4cnc5n4CCN(Cc4ccccc4-c4ccccc4C(F)F)C5)ccc3C2=O)C(=O)N1
|
C33H29F2N5O3 581.623000 |
FXYOHGSAFORSRF-MHZLTWQESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1595
|
Local ready
Direct docking supported
|
|
E3L065834
LIG000404
|
ZXH-2-058
O=C1CCC(N2Cc3c(Nc4ccnc(NC56CC7CC(CC(C7)C5)C6)n4)cccc3C2=O)C(=O)N1
|
C27H30N6O3 486.576000 |
FYKUOPKKBQEPPP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1146
|
Local ready
Direct docking supported
|
|
E3L065835
LIG000405
|
LL-K12-11
CCn1cnc2c(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)nc(N3CCN(C(=O)c4cccnc4)CC3)nc21
|
C25H24Cl2N10O 551.442000 |
FYMBNQWNWKQCTI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB469
|
Local ready
Direct docking supported
|
|
E3L065836
LIG000406
|
MMH2
C=CS(=O)(=O)Nc1ccc(C2=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n3-c3sc(C)c(C)c32)cc1
|
C25H29N5O4S2 527.672000 |
FZRRESXAODIMQN-IBGZPJMESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB39
|
Local ready
Direct docking supported
|
|
E3L065838
LIG000408
|
SJ6986
O=C1CCC(N2C(=O)c3cccc(Nc4ccnc(NS(=O)(=O)c5cccc(OC(F)(F)F)c5)n4)c3C2=O)C(=O)N1
|
C24H17F3N6O7S 590.496000 |
FZXYVLXNFLKBDR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1035
|
Local ready
Direct docking supported
|
|
E3L065839
LIG000409
|
HQ004
CCc1cccc(Nc2nc(CC(=O)Nc3ncc(C)s3)cs2)n1
|
C16H17N5OS2 359.480000 |
GABXTADXGHTPSI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB435
|
Local ready
Direct docking supported
|
|
E3L065840
LIG000410
|
14
O=C1CCC(N2C(=O)c3ccc(CNC(=O)Nc4ccc(Cl)cc4)cc3C2=O)C(=O)N1
|
C21H17ClN4O5 440.843000 |
GACAOIKPNDQHIU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB998
|
Local ready
Direct docking supported
|