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
E3L061741
BDB061741
 BDBM50586469
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c2cc1F
 C25H23F2N5O2
463.488000		 DMPPODCXXBGWET-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50586469; PubChem:CID166628585
 Local ready
Direct docking supported
E3L061742
BDB061742
 BDBM50586470
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c2cc1F
 C26H23F4N5O2
513.495000		 YICDYXUSGXQKLK-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50586470; PubChem:CID166627915
 Local ready
Direct docking supported
E3L061743
BDB061743
 BDBM50586471
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c2cc1F
 C25H22ClF2N5O2
497.933000		 USDUGMLVLKUSBZ-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50586471; PubChem:CID166634091
 Local ready
Direct docking supported
E3L061744
BDB061744
 BDBM50586472
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2cc1F
 C26H22ClF4N5O2
547.940000		 GJCBHWYCVRSEFM-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50586472; PubChem:CID166632052
 Local ready
Direct docking supported
E3L061745
BDB061745
 BDBM50586473
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cc(Cl)ccc4OC)cc3)c2cc1F
 C26H25ClFN5O3
509.969000		 PBBRUKZHVDWECM-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50586473; PubChem:CID166628976
 Local ready
Direct docking supported
E3L061746
BDB061746
 BDBM50586474
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4OC)cc3)c2cc1F
 C27H25F4N5O3
543.521000		 DZAPMAGSEHVBQI-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50586474; PubChem:CID166632692
 Local ready
Direct docking supported
E3L061747
BDB061747
 BDBM50586503
CC[C@H](C)[C@H](NC(=O)[C@@H]1CNC(=O)[C@@H](N)CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)C(C)C
 C125H203N31O38S2
2812.312000		 LVZJYBDBJTYEPA-HKNXOUNISA-N Q09472, Q92793 CREB-binding protein
BindingDB, PubChem
BindingDB:BDBM50586503; PubChem:CID166636616
 Local ready
Direct docking supported
E3L061748
BDB061748
 BDBM50586504
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H]1CNC(=O)[C@@H](N)CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(C)C)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O
 C119H202N30O38S2
2725.231000		 YNLJURILQNEPQG-KZQBMUDCSA-N Q09472, Q92793 CREB-binding protein
BindingDB, PubChem
BindingDB:BDBM50586504; PubChem:CID166627966
 Local ready
Direct docking supported
E3L061749
BDB061749
 BDBM50586505
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)C(C)C
 C129H201N29O39S
2814.258000		 WYXLFFVUWVUYOG-UWMBXVKJSA-N Q09472, Q92793 CREB-binding protein
BindingDB, PubChem
BindingDB:BDBM50586505; PubChem:CID166629801
 Local ready
Direct docking supported
E3L061750
BDB061750
 BDBM50586506
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)C(C)C
 C123H200N28O39S2
2759.244000		 WNMRBAPHMQERLK-SBFZMMTBSA-N Q09472, Q92793 CREB-binding protein
BindingDB, PubChem
BindingDB:BDBM50586506; PubChem:CID166635821
 Local ready
Direct docking supported
E3L061751
BDB061751
 BDBM50586507
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O
 C124H202N28O39S
2741.204000		 UXTBGAAKAKILOF-QGDLVIPYSA-N Q09472, Q92793 CREB-binding protein
BindingDB, PubChem
BindingDB:BDBM50586507; PubChem:CID166632300
 Local ready
Direct docking supported
E3L061752
BDB061752
 BDBM50586508
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O
 C128H199N29O39S
2800.231000		 JTGDKTAYORPKNS-IWHCJFTNSA-N Q09472, Q92793 CREB-binding protein
BindingDB, PubChem
BindingDB:BDBM50586508; PubChem:CID166627595
 Local ready
Direct docking supported
E3L061753
BDB061753
 BDBM50586509
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O
 C99H136N20O29S
2102.355000		 OEKXMLFJULWEJI-INHKUQAKSA-N Q09472, Q92793 CREB-binding protein
BindingDB, PubChem
BindingDB:BDBM50586509; PubChem:CID166636016
 Local ready
Direct docking supported
E3L061754
BDB061754
 BDBM50586510
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O
 C76H123N19O21
1638.932000		 CTDVXCDYVXDYIC-WBMSIDMLSA-N Q09472, Q92793 CREB-binding protein
BindingDB, PubChem
BindingDB:BDBM50586510; PubChem:CID166627063
 Local ready
Direct docking supported
E3L061755
BDB061755
 BDBM50586511
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O
 C194H297N43O61S3
4303.951000		 XIRSITKWZXVEPU-NYHPELEISA-N Q09472, Q92793 CREB-binding protein
BindingDB, PubChem
BindingDB:BDBM50586511; PubChem:CID166634670
 Local ready
Direct docking supported
E3L061756
BDB061756
 H-Asp-Glu-Glu-Val-Leu-Met-Ser-Leu-Val-Ile-Glu-Met-OH
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)O
 C60H102N12O22S2
1407.672000		 JQHRYVMEBZSFGK-YNHQHYGASA-N Q09472, Q92793 CREB-binding protein
BindingDB, PubChem
BindingDB:BDBM50586512; PubChem:CID166634965
 Local ready
Direct docking supported
E3L061757
BDB061757
 BDBM50586513
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O
 C117H199N27O39S2
2672.163000		 BHFMWVNKVQLZBG-FBAZDWCJSA-N Q09472, Q92793 CREB-binding protein
BindingDB, PubChem
BindingDB:BDBM50586513; PubChem:CID166633948
 Local ready
Direct docking supported
E3L061758
BDB061758
 H-Gln-Asn-Glu-Phe-Asp-Phe-Met-Thr-Asp-Phe-OH
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O
 C58H76N12O20S
1293.377000		 HJDWUDBQIKJSJE-REJYQJEPSA-N Q09472, Q92793 CREB-binding protein
BindingDB, PubChem
BindingDB:BDBM50586514; PubChem:CID166627043
 Local ready
Direct docking supported
E3L061759
BDB061759
 Protac agb1
CC[C@@H](C(=O)OCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C)[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
 C51H63ClN8O9S2
1031.699000		 ILEZCIMECSOYKF-QLMRCLNASA-N P40337 von Hippel-Lindau disease tumor suppressor
BindingDB, PubChem
BindingDB:BDBM50586756; PubChem:CID162641704
 Local ready
Direct docking supported
E3L061760
BDB061760
 BDBM50586757
CC[C@@H](C(=O)OCCOCCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C)[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
 C51H63ClN8O8S2
1015.700000		 OJBCHJOJTIVKFE-DBWYGZSJSA-N P40337 von Hippel-Lindau disease tumor suppressor
BindingDB
BindingDB:BDBM50586757
 Local ready
Direct docking supported