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
E3L015321
BDB015321
 US9783573, Example 54
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3cccc4c3ccn4C(=O)NC3C[C@@H](C(=O)NC4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)ccc2C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C65H83N11O8
1146.448000		 PSDYJXNDCNNPNS-FAHIUXGWSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345204; PubChem:CID138961796
 Local ready
Direct docking supported
E3L015322
BDB015322
 US9783573, Example 55
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SC)[C@H](C(=O)N[C@@H]3CCCc5ccccc53)C4)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C63H82N10O8S
1139.478000		 YTFWSFRCHZQCCT-GWLVDWJCSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345205; PubChem:CID118504481
 Local ready
Direct docking supported
E3L015323
BDB015323
 US9783573, Example 56
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCCOC=O)[C@H](C(=O)NC3CCCc5ccccc53)C4)cc2)CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C65H84N10O10S
1197.514000		 HCNKRWOIEAHXFI-FDXINOCVSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345206; PubChem:CID138961797
 Local ready
Direct docking supported
E3L015324
BDB015324
 US9783573, Example 57
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SC)C(C(=O)N[C@@H]3CCCc5ccccc53)C4)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C63H82N10O8S
1139.478000		 YTFWSFRCHZQCCT-KZJFGPMPSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345207; PubChem:CID138961798
 Local ready
Direct docking supported
E3L015325
BDB015325
 US9783573, Example 58
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N3CCCCC3)C(C(=O)N[C@@H]3CCCc5ccccc53)C4)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C69H91N11O9S
1250.622000		 YNCBSFFLUKZFNT-NUGMDYOPSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345208; PubChem:CID138961799
 Local ready
Direct docking supported
E3L015326
BDB015326
 US9783573, Example 59
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N(C)CCO)[C@H](C(=O)N[C@@H]3CCCc5ccccc53)C4)cc2)CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C67H89N11O10S
1240.583000		 HOXPJVQLJUWYQE-XDKVZQBKSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345209; PubChem:CID118497991
 Local ready
Direct docking supported
E3L015327
BDB015327
 US9783573, Example 60
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)Nc3nccs3)[C@H](C(=O)N[C@@H]3CCCc5ccccc53)C4)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C67H84N12O9S2
1265.618000		 JKWASYBHAGAHGC-YKAQSNEXSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345210; PubChem:CID118497873
 Local ready
Direct docking supported
E3L015328
BDB015328
 US9783573, Example 61
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N3CCOCC3)[C@H](C(=O)N[C@@H]3CCCc5ccccc53)C4)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C68H89N11O10S
1252.594000		 YDEZHQRMNAFGIS-QMQHYHLESA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345211; PubChem:CID118497881
 Local ready
Direct docking supported
E3L015329
BDB015329
 US9783573, Example 62
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N(C)Cc3cccc(F)c3)[C@H](C(=O)N[C@@H]3CCCc5ccccc53)C4)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C72H90FN11O9S
1304.645000		 ZMQXLXRMSMAKBR-LRSPFSTISA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345212; PubChem:CID118497890
 Local ready
Direct docking supported
E3L015330
BDB015330
 US9783573, Example 63
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)NCCO)[C@H](C(=O)N[C@@H]3CCCc5ccccc53)C4)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C66H87N11O10S
1226.556000		 ZZHZZCRXBMIUEN-YKAQSNEXSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345213; PubChem:CID118497974
 Local ready
Direct docking supported
E3L015331
BDB015331
 US9783573, Example 64
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N(C)C)[C@H](C(=O)N[C@@H]3CCCc5ccccc53)C4)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C66H87N11O9S
1210.557000		 CJRHVCMFPZPWRZ-YKAQSNEXSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345214; PubChem:CID118497951
 Local ready
Direct docking supported
E3L015332
BDB015332
 US9783573, Example 67
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCCO)[C@H](C(=O)N[C@@H]3CCCc5ccccc53)C4)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C64H84N10O9S
1169.504000		 GRLIQJGBBZIQOE-AZDADDNRSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345215; PubChem:CID118497985
 Local ready
Direct docking supported
E3L015333
BDB015333
 US9783573, Example 68
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCc3ncc(C(C)(C)C)o3)[C@H](C(=O)N[C@@H]3CCCc5ccccc53)C4)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C70H91N11O9S
1262.633000		 TYOLHRDURCGCEM-LOPOYFHOSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345216; PubChem:CID118497982
 Local ready
Direct docking supported
E3L015334
BDB015334
 US10202354, Example 1
N#Cc1ccccc1-c1ccc(S(=O)(=O)N2CCN=C2N2CCN(C3CCC3)CC2)cc1
 C24H27N5O2S
449.580000		 CIUDBLCCDCNHNX-UHFFFAOYSA-N Q8NHM5 Lysine-specific demethylase 2B
BindingDB, PubChem
BindingDB:BDBM345336; PubChem:CID121472729
 Local ready
Direct docking supported
E3L015335
BDB015335
 US10202354, Example 2
COc1cccc(-c2ccc(S(=O)(=O)N3CCN=C3N3CCN(C4CCC4)CC3)cc2)c1
 C24H30N4O3S
454.596000		 RAUDAKYMIAXLCT-UHFFFAOYSA-N Q8NHM5 Lysine-specific demethylase 2B
BindingDB, PubChem
BindingDB:BDBM345337; PubChem:CID121477820
 Local ready
Direct docking supported
E3L015336
BDB015336
 US10202354, Example 3
COc1ccc(-c2ccc(S(=O)(=O)N3CCN=C3N3CCN(C4CCC4)CC3)cc2)cc1
 C24H30N4O3S
454.596000		 ONFFYBIIQNAOCG-UHFFFAOYSA-N Q8NHM5 Lysine-specific demethylase 2B
BindingDB, PubChem
BindingDB:BDBM345338; PubChem:CID121477821
 Local ready
Direct docking supported
E3L015337
BDB015337
 US10202354, Example 4
O=S(=O)(c1ccc(-c2ccccc2C(F)(F)F)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
 C24H27F3N4O2S
492.567000		 ACSAUHFQTZAXPA-UHFFFAOYSA-N Q8NHM5 Lysine-specific demethylase 2B
BindingDB, PubChem
BindingDB:BDBM345339; PubChem:CID121477803
 Local ready
Direct docking supported
E3L015338
BDB015338
 US10202354, Example 5
N#Cc1ccc(-c2ccc(S(=O)(=O)N3CCN=C3N3CCN(C4CCC4)CC3)cc2)cc1
 C24H27N5O2S
449.580000		 LNIMNQUADYGLBM-UHFFFAOYSA-N Q8NHM5 Lysine-specific demethylase 2B
BindingDB, PubChem
BindingDB:BDBM345340; PubChem:CID121477797
 Local ready
Direct docking supported
E3L015339
BDB015339
 US10202354, Example 6
O=S(=O)(c1ccc(-c2ccccn2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
 C22H27N5O2S
425.558000		 LNZWOODYYLNFHP-UHFFFAOYSA-N Q8NHM5 Lysine-specific demethylase 2B
BindingDB, PubChem
BindingDB:BDBM345341; PubChem:CID121477823
 Local ready
Direct docking supported
E3L015340
BDB015340
 US10202354, Example 7
O=S(=O)(c1ccc(-c2cccnc2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
 C22H27N5O2S
425.558000		 RMLYBNISCGBEMK-UHFFFAOYSA-N Q8NHM5 Lysine-specific demethylase 2B
BindingDB, PubChem
BindingDB:BDBM345342; PubChem:CID121477792
 Local ready
Direct docking supported