E3 Ligase Ligand Database

MGD and E3 ligand related compounds for browsing and docking.
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Structure similarity search Input SMILES or upload SDF/MOL/MOL2/PDB/PDBQT; results use Morgan fingerprint Tanimoto.
67228 compounds match the current filters. 123739 source records are linked to them.
Compound ID Name Formula / MW InChIKey E3 Target Source Docking structure
E3L064861
BDB064861
 BDBM50640350
CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cc2ccc(=O)[nH]n2)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C29H38BFN4O5
552.456000		 OLNVDHYNIITNFG-SXCOYPSKSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640350
 Local ready
Direct docking supported
E3L064862
BDB064862
 BDBM50640351
Cc1c(Cc2ccc(F)c(C(=O)NCC(=O)N[C@@H](CC(C)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)c2)n[nH]c(=O)c1C
 C31H42BFN4O5
580.510000		 GYHWVERVJDDCAH-BWLMFSAKSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640351
 Local ready
Direct docking supported
E3L064863
BDB064863
 BDBM50640352
Cc1c(Cc2ccc(F)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)B3O[C@@H]4C[C@@H]5C[C@@H](C5(C)C)[C@]4(C)O3)c2)n[nH]c(=O)c1C
 C38H48BFN4O5
670.635000		 DJZCEHUMLZCKBG-JHCNFFOBSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640352
 Local ready
Direct docking supported
E3L064864
BDB064864
 BDBM50640353
COC[C@H](NC(=O)c1cc(Cc2n[nH]c(=O)c(C)c2C)ccc1F)C(=O)N[C@@H](CC(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C33H46BFN4O6
624.563000		 GNEFRJKLKVPNLK-CSOSJAFVSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640353
 Local ready
Direct docking supported
E3L064865
BDB064865
 BDBM50640354
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(COc2ccccc2C(N)=O)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C39H47BFN3O6
683.630000		 CLVFEJZELCYMSI-HBIDYGJWSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640354
 Local ready
Direct docking supported
E3L064866
BDB064866
 BDBM50640355
CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C33H40BFN4O5
602.516000		 HDJIYQABLDDLST-OQXIOANDSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640355
 Local ready
Direct docking supported
E3L064867
BDB064867
 BDBM50640356
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C40H46BFN4O5
692.641000		 ATXBWTLLRQPRTF-FRDNHCSESA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640356
 Local ready
Direct docking supported
E3L064868
BDB064868
 BDBM50640357
CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B(O)O
 C23H26BFN4O5
468.294000		 WAODZKSACVYCRN-FQEVSTJZSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB, PubChem
BindingDB:BDBM50640357; PubChem:CID177380602
 Local ready
Direct docking supported
E3L064869
BDB064869
 BDBM50640358
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B(O)O
 C30H32BFN4O5
558.419000		 IGFFHJGCUWZRKD-SVBPBHIXSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB, PubChem
BindingDB:BDBM50640358; PubChem:CID177380603
 Local ready
Direct docking supported
E3L064870
BDB064870
 BDBM50640359
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C42H47BFN5O5
731.678000		 MKRASBLHKPMOJK-JLNUWYKLSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640359
 Local ready
Direct docking supported
E3L064871
BDB064871
 BDBM50640360
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B(O)O
 C32H33BFN5O5
597.456000		 XKPGTGFSIKPAND-VMPREFPWSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB, PubChem
BindingDB:BDBM50640360; PubChem:CID177380605
 Local ready
Direct docking supported
E3L064872
BDB064872
 BDBM50640361
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C40H46BFN4O6
708.640000		 NNSFMYQJXICPJZ-NUUGSWPISA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640361
 Local ready
Direct docking supported
E3L064873
BDB064873
 BDBM50640362
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(C)O)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C35H44BFN4O6
646.569000		 SOWWGFRAFDIXID-UIFZSLSKSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640362
 Local ready
Direct docking supported
E3L064874
BDB064874
 BDBM50640363
COC[C@H](NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)N[C@@H](CC(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C35H44BFN4O6
646.569000		 WHPSHUGOCRYIEA-UXMFSLKUSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640363
 Local ready
Direct docking supported
E3L064875
BDB064875
 BDBM50640364
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C41H48BFN4O5
706.668000		 CRLANDXFFHDDAK-DRJJFEHMSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640364
 Local ready
Direct docking supported
E3L064876
BDB064876
 BDBM50640365
CSCC[C@H](NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)N[C@@H](CC(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C36H46BFN4O5S
676.664000		 YMRLPMGPWVJHRW-SVRJCQRGSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640365
 Local ready
Direct docking supported
E3L064877
BDB064877
 BDBM50640366
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C36H46BFN4O5
644.597000		 ZGJCDWNULSEOPE-LKQQRHFWSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640366
 Local ready
Direct docking supported
E3L064878
BDB064878
 BDBM50640367
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C34H42BFN4O5
616.543000		 JYQWLIKKTHHVQH-RYWRPSSMSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640367
 Local ready
Direct docking supported
E3L064879
BDB064879
 BDBM50640368
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(C)(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C37H48BFN4O5
658.624000		 BTKRWKKHLIWZCM-QCDWPBSNSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640368
 Local ready
Direct docking supported
E3L064880
BDB064880
 BDBM50640369
CCC[C@H](NC(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(=O)N[C@@H](CC(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
 C36H46BFN4O5
644.597000		 YFUQBDLMKVLYPM-SVRJCQRGSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB
BindingDB:BDBM50640369
 Local ready
Direct docking supported