E3 Ligase Ligand Database

MGD and E3 ligand related compounds for browsing and docking.
Reset
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
E3L056841
BDB056841
 BDBM50453694
CC(C)C[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)C(N)=O
 C79H115BrN20O28
1872.805000		 IVBYYLMPDPICPD-SEZFKHJDSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB, PubChem
BindingDB:BDBM50453694; PubChem:CID145976526
 Local ready
Direct docking supported
E3L056842
BDB056842
 BDBM50453695
CC(C)C[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)CC(=O)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
 C81H120BrN23O27
1927.889000		 DONMHBXJADCGNZ-VRCXFTSZSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB, PubChem
BindingDB:BDBM50453695; PubChem:CID145966080
 Local ready
Direct docking supported
E3L056843
BDB056843
 BDBM50453696
CC(C)C[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
 C81H120BrN23O28
1943.888000		 VJQYYLOOXVIHEQ-XLLZQOCFSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB, PubChem
BindingDB:BDBM50453696; PubChem:CID145972301
 Local ready
Direct docking supported
E3L056844
BDB056844
 BDBM50453702
CC(C)C[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
 C82H122BrN23O28
1957.915000		 WBNNDVHEYKCPTK-DIRVUIKWSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB, PubChem
BindingDB:BDBM50453702; PubChem:CID145969823
 Local ready
Direct docking supported
E3L056845
BDB056845
 BDBM50453703
CC(C)C[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
 C81H121BrN22O27
1914.890000		 HQZLNPMCFLPKDM-NAKXUMLQSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB, PubChem
BindingDB:BDBM50453703; PubChem:CID145969865
 Local ready
Direct docking supported
E3L056846
BDB056846
 BDBM50453704
CC(C)C[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C
 C79H116BrN23O28
1915.834000		 NKGNTYBDRYSLSM-KJJKEXGESA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB, PubChem
BindingDB:BDBM50453704; PubChem:CID145976465
 Local ready
Direct docking supported
E3L056847
BDB056847
 BDBM50453705
CC(C)C[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
 C80H120BrN23O26
1899.879000		 RXHARIMYSGVERJ-FOIHEVJBSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB, PubChem
BindingDB:BDBM50453705; PubChem:CID145977314
 Local ready
Direct docking supported
E3L056848
BDB056848
 BDBM50453706
CC(C)C[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
 C79H116BrN23O28
1915.834000		 KZVICRKCXGGVAI-KJJKEXGESA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB, PubChem
BindingDB:BDBM50453706; PubChem:CID145978249
 Local ready
Direct docking supported
E3L056849
BDB056849
 BDBM50453707
CC(C)C[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@@H](C)N)[C@@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
 C81H122BrN23O26
1913.906000		 PLJVNXSXWPHZFK-KVUDMCOXSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB, PubChem
BindingDB:BDBM50453707; PubChem:CID145967267
 Local ready
Direct docking supported
E3L056850
BDB056850
 BDBM50453708
CC(C)C[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
 C82H122BrN23O27
1941.916000		 PQEJTRUATMGAMH-ZWSJYGPSSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB, PubChem
BindingDB:BDBM50453708; PubChem:CID145976121
 Local ready
Direct docking supported
E3L056851
BDB056851
 BDBM50453709
CC(C)C[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
 C80H118BrN23O28
1929.861000		 SWXCTAQCNLKXFZ-NKVLIBNSSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB, PubChem
BindingDB:BDBM50453709; PubChem:CID145971585
 Local ready
Direct docking supported
E3L056852
BDB056852
 BDBM50453710
CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C
 C80H120BrN23O26
1899.879000		 YDGJKUQVMSCKTE-FOIHEVJBSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB, PubChem
BindingDB:BDBM50453710; PubChem:CID145975898
 Local ready
Direct docking supported
E3L056853
BDB056853
 BDBM50453721
CC(C)=CCC/C(C)=C/CCC(C)(C)CCNC(=O)C(CP(=O)(O)O)C(=O)O
 C20H36NO6P
417.483000		 XTWQCOYJSBBHQW-MHWRWJLKSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB, PubChem
BindingDB:BDBM50453721; PubChem:CID10387250
 Local ready
Direct docking supported
E3L056854
BDB056854
 BDBM50453722
CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@@H](CC(=O)O)C(=O)O
 C19H29NO5
351.443000		 GGAMAQNICRPPQT-RSXQAZDNSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB, PubChem
BindingDB:BDBM50453722; PubChem:CID10450596
 Local ready
Direct docking supported
E3L056855
BDB056855
 BDBM50453723
CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@@H](CCC(=O)O)C(=O)O
 C20H31NO5
365.470000		 BLLKEMRRIDEHKU-QNKSZLNVSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB, PubChem
BindingDB:BDBM50453723; PubChem:CID10474028
 Local ready
Direct docking supported
E3L056856
BDB056856
 BDBM50453724
CCCCCCCCCCCCNC(=O)C(CP(=O)(O)O)C(=O)O
 C16H32NO6P
365.407000		 NZICDVFUVHGBSF-UHFFFAOYSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB, PubChem
BindingDB:BDBM50453724; PubChem:CID11726346
 Local ready
Direct docking supported
E3L056857
BDB056857
 BDBM50453725
CC(C)=CCC/C(C)=C/CC/C(C)=C/CNC(=O)CC(=O)O
 C18H29NO3
307.434000		 YJCGDGMZFLPAQC-XGGJEREUSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB, PubChem
BindingDB:BDBM50453725; PubChem:CID10402973
 Local ready
Direct docking supported
E3L056858
BDB056858
 BDBM50453726
CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@H](CC(=O)O)C(=O)O
 C19H29NO5
351.443000		 GGAMAQNICRPPQT-PKZBUFLYSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB, PubChem
BindingDB:BDBM50453726; PubChem:CID10473146
 Local ready
Direct docking supported
E3L056859
BDB056859
 BDBM50453820
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1
 C24H19N3O6
445.431000		 HEKJYZZSCQBJGB-UHFFFAOYSA-N Q09472 Histone acetyltransferase p300
BindingDB, PubChem
BindingDB:BDBM50453820; PubChem:CID2871948
 Local ready
Direct docking supported
E3L056860
BDB056860
 Aurora kinase inhibitor-8
CCC(=O)Nc1ccc(C(=O)Nc2ccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)cc2)cc1
 C30H29N7O3
535.608000		 KGXBCWANASZZQG-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50453821; PubChem:CID129900111
 Local ready
Direct docking supported