| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017401
BDB017401
|
US10300074, Compd 34
CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C23H32N4O3S 444.601000 |
GRPYHMFJRWZUEE-IQOMPXODSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391839; PubChem:CID76071475
|
Local ready
Direct docking supported
|
|
E3L017402
BDB017402
|
US10300074, Compd 35
CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C25H36N4O3S 472.655000 |
IIXXVAXNYFQXST-DUDGCXMLSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391840; PubChem:CID74538665
|
Local ready
Direct docking supported
|
|
E3L017403
BDB017403
|
US10300074, Compd 36
CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C23H32N4O3S 444.601000 |
GRPYHMFJRWZUEE-AXBXVSCFSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391841; PubChem:CID76071352
|
Local ready
Direct docking supported
|
|
E3L017404
BDB017404
|
US10300074, Compd 37
CN[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C23H32N4O5S 476.599000 |
NQKSLNVTSSRSHW-IQOMPXODSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391842; PubChem:CID76071476
|
Local ready
Direct docking supported
|
|
E3L017405
BDB017405
|
US10300074, Compd 38
CN[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)[C@H]2CC[C@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C23H32N4O5S 476.599000 |
NQKSLNVTSSRSHW-AXBXVSCFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391843; PubChem:CID76071471
|
Local ready
Direct docking supported
|
|
E3L017406
BDB017406
|
US10300074, Compd 39
CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](C(=O)N[C@@H]3CCOc4ccccc43)N2C1=O
|
C22H30N4O5 430.505000 |
FOZRDSOEUULRIC-BJZZIADLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391844; PubChem:CID90201941
|
Local ready
Direct docking supported
|
|
E3L017407
BDB017407
|
US10300074, Compd 40
CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(C(=O)Nc3ccccc3SSc3ccccc3NC(=O)C3N4C(=O)[C@@H](NC(=O)[C@H](C)NC)CCO[C@H]4CC3(C)C)N2C1=O
|
C42H58N8O8S2 867.108000 |
AIFGCTVCICYJCY-PZMKEKQBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391845; PubChem:CID118467932
|
Local ready
Direct docking supported
|
|
E3L017408
BDB017408
|
US10300074, Compd 41
CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCCC(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C24H34N4O3S 458.628000 |
FWUVYMSKIZICRV-ADURKJLDSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391846; PubChem:CID90201642
|
Local ready
Direct docking supported
|
|
E3L017409
BDB017409
|
US10300074, Compd 42
CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CC=CC3)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C27H36N4O4 480.609000 |
RSJCHSVTXILJJN-CFLMPHEOSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391847; PubChem:CID76071592
|
Local ready
Direct docking supported
|
|
E3L017410
BDB017410
|
US10300074, Compd 43
CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CCCC3)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C27H38N4O4 482.625000 |
OXRCNGFIXLNXEZ-CFLMPHEOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391848; PubChem:CID76071593
|
Local ready
Direct docking supported
|
|
E3L017411
BDB017411
|
US10300074, Compd 44
CN[C@@H](C)C(=O)N[C@H]1Cc2cc(O)c(O)cc2[C@H]2CC(C)(C)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C30H38N4O5 534.657000 |
RQJNKFQYBQNZKM-VNTVSQQUSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM391849; PubChem:CID118467941
|
Local ready
Direct docking supported
|
|
E3L017412
BDB017412
|
US10300074, Compd 45
CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(O)cc2[C@H]2CC(C)(C)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C30H38N4O4 518.658000 |
WWSXHSXXXOEQKI-UQFYKGKHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391850; PubChem:CID118467925
|
Local ready
Direct docking supported
|
|
E3L017413
BDB017413
|
US10300074, Compd 46
CN[C@@H](C)C(=O)N[C@H]1CC(=O)N[C@H]2CC(C)(C)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C25H35N5O4 469.586000 |
DWFJMDXUFGOBCU-OZWJTPLTSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391851; PubChem:CID118467917
|
Local ready
Direct docking supported
|
|
E3L017414
BDB017414
|
US10300074, Compd 47
CN[C@@H](C)C(=O)N[C@H]1Cc2cc(O)ccc2[C@H]2CC(C)(C)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C30H38N4O4 518.658000 |
VERWQRXAOGRLPX-UQFYKGKHSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391852; PubChem:CID118467902
|
Local ready
Direct docking supported
|
|
E3L017415
BDB017415
|
BDBM394404
O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(C(=O)N2CCOCC2)c1
|
C24H29N3O4 423.513000 |
SGQMNJKLEADSRY-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM394404; PubChem:CID76900988
|
Local ready
Direct docking supported
|
|
E3L017416
BDB017416
|
US10308614, Example 6
C[C@H]1CCCCN1c1cc(-c2ccccc2O)nnc1N
|
C16H20N4O 284.363000 |
KXXHZDPNIIOTSH-NSHDSACASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM394405; PubChem:CID137029398
|
Local ready
Direct docking supported
|
|
E3L017417
BDB017417
|
BDBM394477
CN1CCC(Nc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)C1
|
C24H32N4O2 408.546000 |
CIBQPZYNZDVVOT-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM394477; PubChem:CID117685708
|
Local ready
Direct docking supported
|
|
E3L017418
BDB017418
|
BDBM394563
CN1CCC(Nc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1
|
C23H32N6O2 424.549000 |
TVFLAWSQGHNPBW-FQEVSTJZSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM394563; PubChem:CID117685623
|
Local ready
Direct docking supported
|
|
E3L017419
BDB017419
|
BDBM394661
CC(=O)N1CCC(Oc2cncc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)CC1
|
C25H32N4O4 452.555000 |
ZOMCGOJTHPGNAS-QFIPXVFZSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM394661; PubChem:CID117685722
|
Local ready
Direct docking supported
|
|
E3L017420
BDB017420
|
BDBM394693
O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc(NC2COC2)ncn1
|
C20H25N5O3 383.452000 |
ZKXZLIFRWWKZRY-QGZVFWFLSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM394693; PubChem:CID117685810
|
Local ready
Direct docking supported
|