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
E3L054221
BDB054221
 swinhoeisterol A
C=C1[C@@H](O)CC[C@]2(C)C3=C4[C@@H](C[C@@H]12)C(=O)CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CC3
 C29H46O2
426.685000		 QKIDAKSZXWINRJ-ZGQXDLOVSA-N Q09472 Histone acetyltransferase p300
BindingDB, PubChem
BindingDB:BDBM50366333; PubChem:CID102127780
 Local ready
Direct docking supported
E3L054222
BDB054222
 BDBM50366670
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C4CC4)nn3C)c12
 C24H25N7O2
443.511000		 JIYPVUCBRQNICX-UHFFFAOYSA-N O15164, Q09472, Q12830, Q92793, Q92831 Histone acetyltransferase p300, Transcription intermediary factor 1-alpha, Histone acetyltransferase KAT2B, CREB-binding protein, Nucleosome-remodeling factor subunit BPTF
BindingDB, PubChem
BindingDB:BDBM50366670; PubChem:CID118340554
 Local ready
Direct docking supported
E3L054223
BDB054223
 Tautomycin
CO[C@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C
 C41H66O13
766.966000		 RFCWHQNNCOJYTR-IRCAEPKSSA-N Q15257 Serine/threonine-protein phosphatase 2A activator
BindingDB, PubChem
BindingDB:BDBM50366883; PubChem:CID440646
 Local ready
Direct docking supported
E3L054224
BDB054224
 Lly-283
Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccccc2)[C@@H](O)[C@H]1O
 C17H18N4O4
342.355000		 WWOOWAHTEXIWBO-QFRSUPTLSA-N Q9BQA1 Protein arginine N-methyltransferase 5
BindingDB, PubChem
BindingDB:BDBM50366992; PubChem:CID122669401
 Local ready
Direct docking supported
E3L054225
BDB054225
 BDBM50367026
Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@@H](O)c2ccccc2)[C@@H](O)[C@H]1O
 C17H18N4O4
342.355000		 WWOOWAHTEXIWBO-CNUKPYSBSA-N Q9BQA1 Protein arginine N-methyltransferase 5
BindingDB, PubChem
BindingDB:BDBM50367026; PubChem:CID136213035
 Local ready
Direct docking supported
E3L054226
BDB054226
 Coenzyme A
CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS
 C21H36N7O16P3S
767.541000		 RGJOEKWQDUBAIZ-IBOSZNHHSA-N Q09472, Q92831 Histone acetyltransferase p300, Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM50367033; PubChem:CID87642
 Local ready
Direct docking supported
E3L054227
BDB054227
 BDBM50367081
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)CC(C)C)C(C)C
 C27H43N3O6
505.656000		 HTBYANKKRDNHDQ-MLCQCVOFSA-N P00797 Renin
BindingDB, PubChem
BindingDB:BDBM50367081; PubChem:CID73345715
 Local ready
Direct docking supported
E3L054228
BDB054228
 H-bAla(2R-OH,3S-iBu)-D-Leu-Val-Phe-OMe
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](O)[C@@H](N)CC(C)C)C(C)C
 C28H46N4O6
534.698000		 PGJKABNIKSHPQV-VHJOFQCFSA-N P00797 Renin
BindingDB, PubChem
BindingDB:BDBM50367082; PubChem:CID44370888
 Local ready
Direct docking supported
E3L054229
BDB054229
 BDBM50367084
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](O)[C@@H](N)CC(C)CC(=O)[C@@H](N)CC(C)C)C(C)C
 C28H46N4O6
534.698000		 VUCBTQLMZQVPLU-RKMPLBLRSA-N P00797 Renin
BindingDB, PubChem
BindingDB:BDBM50367084; PubChem:CID44370809
 Local ready
Direct docking supported
E3L054230
BDB054230
 H-bAla(2S-OH,3S-iBu)-Leu-Val-Phe-OMe
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](N)CC(C)C)C(C)C
 C28H46N4O6
534.698000		 PGJKABNIKSHPQV-LSBAASHUSA-N P00797 Renin
BindingDB, PubChem
BindingDB:BDBM50367085; PubChem:CID44370803
 Local ready
Direct docking supported
E3L054231
BDB054231
 BDBM50367086
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](O)[C@@H](N)CC(C)CC(=O)[C@@H](N)CC(C)C)C(C)C
 C28H46N4O6
534.698000		 VUCBTQLMZQVPLU-VEJBECQLSA-N P00797 Renin
BindingDB, PubChem
BindingDB:BDBM50367086; PubChem:CID44370862
 Local ready
Direct docking supported
E3L054232
BDB054232
 Boc-alpha-MePro-Phe-His-Leu si[CHOHCH2]Val-Ile-Amp
CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
 C50H76N10O8
945.220000		 QQZMWHRPVNRMTA-QAEMXDFFSA-N P00797 Renin
BindingDB, PubChem
BindingDB:BDBM50367481; PubChem:CID90663440
 Local ready
Direct docking supported
E3L054233
BDB054233
 BDBM50367482
CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
 C50H76N10O8
945.220000		 JJWULLLETCRADT-JJNNLWIXSA-N P00797 Renin
BindingDB
BindingDB:BDBM50367482
 Local ready
Direct docking supported
E3L054234
BDB054234
 BDBM50367676
Cn1cc(-c2ccc(N(C(=O)NCc3ccccc3)[C@H]3CC[C@H](Nc4ccc(C#N)cn4)CC3)cc2)ccc1=O
 C32H32N6O2
532.648000		 HDJBGURZVALLMD-KWQFAZJVSA-N P51948 Cyclin-H
BindingDB
BindingDB:BDBM50367676
 Local ready
Direct docking supported
E3L054235
BDB054235
 BDBM50367682
CC(C)C(=O)OC[C@@H]1O[C@@H](n2cnc(N)c3c(C(N)=O)c(Br)nc2-3)[C@@H](O)[C@@H]1O
 C16H20BrN5O6
458.269000		 FECJFYFWBIAIIL-WYLSKWGASA-N P51948 Cyclin-H
BindingDB
BindingDB:BDBM50367682
 Local ready
Direct docking supported
E3L054236
BDB054236
 BDBM50367708
CCCC[C@@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@H](C(=O)N[C@H](C(=O)NCc1ccccn1)[C@H](C)CC)C(C)C)N1CCC(Cc2ccccc2)(NC(=O)OCc2ccccc2)C1=O
 C49H70N6O7
855.134000		 QMXKHSWHJCCJOX-BGKFPNIYSA-N P00797 Renin
BindingDB
BindingDB:BDBM50367708
 Local ready
Direct docking supported
E3L054237
BDB054237
 BDBM50367709
CCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@H](C(=O)N[C@H](C(=O)NCc1ccccn1)[C@H](C)CC)C(C)C
 C39H61N5O5
679.947000		 BQIUCGSEMHLJLL-BGWHZYJYSA-N P00797 Renin
BindingDB
BindingDB:BDBM50367709
 Local ready
Direct docking supported
E3L054238
BDB054238
 BDBM50367710
CCCC[C@@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@H](C(=O)N[C@H](C(=O)NCc1ccccn1)[C@@H](C)CC)C(C)C)N1CCC(Cc2ccccc2)C1=O
 C41H63N5O5
705.985000		 KIXQRCRIBOFAHT-GQGRLGCHSA-N P00797 Renin
BindingDB
BindingDB:BDBM50367710
 Local ready
Direct docking supported
E3L054239
BDB054239
 BDBM50367711
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@H](C(=O)N[C@H](C(=O)NCc1ccccn1)[C@H](C)CC)C(C)C
 C47H68N6O7
829.096000		 HFIJSBCUFNHKKK-TYUXPUMBSA-N P00797 Renin
BindingDB
BindingDB:BDBM50367711
 Local ready
Direct docking supported
E3L054240
BDB054240
 BDBM50367712
CCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccccn1)[C@H](C)CC
 C35H53N5O5
623.839000		 IWTGIFJJNUPIOB-OZIPUQOZSA-N P00797 Renin
BindingDB, PubChem
BindingDB:BDBM50367712; PubChem:CID56657671
 Local ready
Direct docking supported