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
E3L013741
BDB013741
 Chem-US-00209
CC(Nc1nn(C)c(=O)c2cccnc12)C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N(C)C
 C25H27N5O3S
477.590000		 BXCUTSNGMLRHFZ-UHFFFAOYSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311497; PubChem:CID118928608
 Local ready
Direct docking supported
E3L013742
BDB013742
 Chem-US-00210
C[C@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](c1ccc(S(=O)(=O)c2ccccc2)cc1)N(C)C
 C25H27N5O3S
477.590000		 BXCUTSNGMLRHFZ-GAJHUEQPSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311498; PubChem:CID118928654
 Local ready
Direct docking supported
E3L013743
BDB013743
 Chem-US-00211
C[C@@H](Nc1nn(C)c(=O)c2cccnc12)[C@@H](c1ccc(S(=O)(=O)c2ccccc2)cc1)N(C)C
 C25H27N5O3S
477.590000		 BXCUTSNGMLRHFZ-HXOBKFHXSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311499; PubChem:CID118928586
 Local ready
Direct docking supported
E3L013744
BDB013744
 Chem-US-00212
CC(Nc1nn(C)c(=O)c2cccnc12)C(c1cn(C)nn1)N(C)C
 C16H22N8O
342.407000		 LQYSEWMBWOBATB-UHFFFAOYSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311500; PubChem:CID118928776
 Local ready
Direct docking supported
E3L013745
BDB013745
 US10155764, Example 76
C[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@H](c1ccc(O)cc1)N(C)C
 C20H24N4O2
352.438000		 YBLAMBJXTDAGPO-SCLBCKFNSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311501; PubChem:CID118917303
 Local ready
Direct docking supported
E3L013746
BDB013746
 US10155764, Example 77
C[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@H](c1ccc(OCc2ccccc2)cc1)N(C)C
 C27H30N4O2
442.563000		 JBWINYUHNUJMNR-UQBPGWFLSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311502; PubChem:CID118928699
 Local ready
Direct docking supported
E3L013747
BDB013747
 Chem-US-00222
C[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@H](c1ccc(OCC2CC2)cc1)N(C)C
 C24H30N4O2
406.530000		 XOKAPKFGCKMEII-KSFYIVLOSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311503; PubChem:CID118928616
 Local ready
Direct docking supported
E3L013748
BDB013748
 Chem-US-00223
COc1ccc([C@@H]([C@H](C)Nc2nn(C)c(=O)c3ccccc23)N(C)C)cc1
 C21H26N4O2
366.465000		 KKTPWULYMLKJNJ-IFXJQAMLSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311504; PubChem:CID118928697
 Local ready
Direct docking supported
E3L013749
BDB013749
 Chem-US-00224
C[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@H](c1ccc(Oc2ccccn2)cc1)N(C)C
 C25H27N5O2
429.524000		 VGQSEJFULWUMPP-GAJHUEQPSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311505; PubChem:CID118928619
 Local ready
Direct docking supported
E3L013750
BDB013750
 US10155764, Example 81
C[C@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](c1ccc(C(=O)O)cc1)N(C)C
 C20H23N5O3
381.436000		 BFQWSEXKEXWINT-YVEFUNNKSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311506; PubChem:CID118928617
 Local ready
Direct docking supported
E3L013751
BDB013751
 US10155764, Example 82
C[C@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](c1ccc(C(=O)N2CCOCC2)cc1)N(C)C
 C24H30N6O3
450.543000		 OROORMYXTWFHCP-HRAATJIYSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311507; PubChem:CID118917363
 Local ready
Direct docking supported
E3L013752
BDB013752
 Chem-US-00228
C[C@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](c1ccc(C(=O)N2CCCC2)cc1)N(C)C
 C24H30N6O2
434.544000		 LDTRIOXBEPRMGY-HRAATJIYSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311508; PubChem:CID118928660
 Local ready
Direct docking supported
E3L013753
BDB013753
 Chem-US-00229
C[C@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](c1ccc(C(=O)N(C)Cc2ccccc2)cc1)N(C)C
 C28H32N6O2
484.604000		 WXTREBZXVMSDJZ-UQBPGWFLSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311509; PubChem:CID118928662
 Local ready
Direct docking supported
E3L013754
BDB013754
 Chem-US-00230
CNC(=O)c1ccc([C@@H]([C@H](C)Nc2nn(C)c(=O)c3cccnc23)N(C)C)cc1
 C21H26N6O2
394.479000		 XJCJNZRDKMGHEV-SCLBCKFNSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311510; PubChem:CID118928587
 Local ready
Direct docking supported
E3L013755
BDB013755
 US10155764, Example 86
CC(C)OC(=O)c1ccc([C@@H]([C@H](C)Nc2nn(C)c(=O)c3cccnc23)N(C)C)cc1
 C23H29N5O3
423.517000		 UNDXTYUXEZQTIS-MGPUTAFESA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311511; PubChem:CID118928609
 Local ready
Direct docking supported
E3L013756
BDB013756
 Chem-US-00232
C[C@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](c1ccc(C(=O)OCc2ccccc2)cc1)N(C)C
 C27H29N5O3
471.561000		 BIGOMLUWBGNKQQ-MHECFPHRSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311512; PubChem:CID118928612
 Local ready
Direct docking supported
E3L013757
BDB013757
 BDBM311513
C[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@H](c1ccc(=O)[nH]c1)N(C)C
 C19H23N5O2
353.426000		 HYAZZSOCPDETGW-YVEFUNNKSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311513; PubChem:CID118917354
 Local ready
Direct docking supported
E3L013758
BDB013758
 US10155764, Example 89
CC(CN(C)C)Nc1nn(C)c(=O)c2c1CCN(c1ccc(Cl)cc1)C2
 C19H26ClN5O
375.904000		 MGKQXPARSGXVLT-UHFFFAOYSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311514; PubChem:CID118917340
 Local ready
Direct docking supported
E3L013759
BDB013759
 US10155764, Example 90
CC(CN(C)C)Nc1nn(C)c(=O)c2c1CN(c1ccc(Cl)cc1)CC2
 C19H26ClN5O
375.904000		 XKWUZKDWEHMEMF-UHFFFAOYSA-N Q92831 Histone acetyltransferase KAT2B
BindingDB, PubChem
BindingDB:BDBM311515; PubChem:CID118917293
 Local ready
Direct docking supported
E3L013760
BDB013760
 US9603889, Example 2
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(CN(CCc3ccccc3)C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C61H81N9O7
1052.375000		 WBECJJFGDUGEEK-NPDPEGIPSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM312090; PubChem:CID126725456
 Local ready
Direct docking supported