| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058181
BDB058181
|
BDBM50505414
C[C@@H]1COCCN1c1nc(-c2ccc(N)nc2)nc2c1C[C@@H]1COCCN21
|
C19H24N6O2 368.441000 |
FFFOZOQSDJISHN-TZMCWYRMSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505414; PubChem:CID155569607
|
Local ready
Direct docking supported
|
|
E3L058182
BDB058182
|
BDBM50505415
Nc1ccc(-c2nc(N3C4CCC3COC4)c3c(n2)N2CCOC[C@@H]2C3)cn1
|
C20H24N6O2 380.452000 |
XGLUOINQAVYTEU-NRXISQOPSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505415; PubChem:CID155559332
|
Local ready
Direct docking supported
|
|
E3L058183
BDB058183
|
BDBM50505416
Nc1ccc(-c2nc(N3C4CCC3COC4)c3c(n2)N2CCOC[C@H]2C3)cn1
|
C20H24N6O2 380.452000 |
XGLUOINQAVYTEU-YMAMQOFZSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505416; PubChem:CID155563891
|
Local ready
Direct docking supported
|
|
E3L058184
BDB058184
|
BDBM50505417
Cc1cc(N)ncc1-c1nc2c(c(N3CCOC[C@H]3C)n1)C[C@@H]1COCCN21
|
C20H26N6O2 382.468000 |
RHOZVFIZEGRWGK-ZIAGYGMSSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505417; PubChem:CID155554924
|
Local ready
Direct docking supported
|
|
E3L058185
BDB058185
|
BDBM50505418
COC(OC)c1cc(N)ncc1-c1nc2c(c(N3CCOC[C@H]3C)n1)C[C@@H]1COCCN21
|
C22H30N6O4 442.520000 |
ZCRXZVSIPPHARU-ZIAGYGMSSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505418; PubChem:CID155559160
|
Local ready
Direct docking supported
|
|
E3L058186
BDB058186
|
BDBM50505419
Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)N2CCOC[C@H]2C3)cn1
|
C18H22N6O2 354.414000 |
QABQGNKUVHFGFL-CYBMUJFWSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505419; PubChem:CID118000150
|
Local ready
Direct docking supported
|
|
E3L058187
BDB058187
|
BDBM50505420
Nc1ccc(-c2nc(N3CCOCC3)nc3c2C[C@H]2COCCN32)cn1
|
C18H22N6O2 354.414000 |
BZNSXRRFSXPCLY-ZDUSSCGKSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505420; PubChem:CID118000035
|
Local ready
Direct docking supported
|
|
E3L058188
BDB058188
|
BDBM50505421
C[C@H]1COCCN1c1nc(-c2ccc(N)nc2)nc2c1C[C@@H]1COCCN21
|
C19H24N6O2 368.441000 |
FFFOZOQSDJISHN-GXTWGEPZSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505421; PubChem:CID155526809
|
Local ready
Direct docking supported
|
|
E3L058189
BDB058189
|
BDBM50505422
CC1(C)COCCN1c1nc(-c2ccc(N)nc2)nc2c1C[C@@H]1COCCN21
|
C20H26N6O2 382.468000 |
PMJQDXRPCAZOAR-CQSZACIVSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505422; PubChem:CID155558720
|
Local ready
Direct docking supported
|
|
E3L058190
BDB058190
|
BDBM50505423
Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3c(n2)N2CCOC[C@H]2C3)cn1
|
C20H24N6O2 380.452000 |
VAELRJRCRJHXIF-WLYUNCDWSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505423; PubChem:CID155526450
|
Local ready
Direct docking supported
|
|
E3L058191
BDB058191
|
BDBM50505424
COc1cc(N)ncc1-c1nc2c(c(N3CCOC[C@H]3C)n1)C[C@@H]1COCCN21
|
C20H26N6O3 398.467000 |
IXCKXAAJTCORGW-CHWSQXEVSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505424; PubChem:CID155551369
|
Local ready
Direct docking supported
|
|
E3L058192
BDB058192
|
BDBM50505425
Nc1cc(C(F)(F)F)c(-c2nc(N3CCCCC3)c3c(n2)N2CCOC[C@H]2C3)cn1
|
C20H23F3N6O 420.439000 |
ZGIKRQIWUKJPFY-GFCCVEGCSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505425; PubChem:CID155513291
|
Local ready
Direct docking supported
|
|
E3L058193
BDB058193
|
BDBM50505426
Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3c(n2)N2CCCC[C@H]2C3)cn1
|
C20H23F3N6O 420.439000 |
ROQYXPYWCLAQKK-LBPRGKRZSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505426; PubChem:CID155530040
|
Local ready
Direct docking supported
|
|
E3L058194
BDB058194
|
BDBM50505427
Nc1cc(C(F)(F)F)c(-c2nc(N3CCCCC3)c3c(n2)N2CCOC[C@@H]2C3)cn1
|
C20H23F3N6O 420.439000 |
ZGIKRQIWUKJPFY-LBPRGKRZSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505427; PubChem:CID155558592
|
Local ready
Direct docking supported
|
|
E3L058195
BDB058195
|
BDBM50505428
Nc1ccc(-c2nc(N3CCOCC3)nc3c2C[C@@H]2COCCN32)cn1
|
C18H22N6O2 354.414000 |
BZNSXRRFSXPCLY-CYBMUJFWSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505428; PubChem:CID118000206
|
Local ready
Direct docking supported
|
|
E3L058196
BDB058196
|
BDBM50505429
Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3c(n2)N2CCCC[C@@H]2C3)cn1
|
C20H23F3N6O 420.439000 |
ROQYXPYWCLAQKK-GFCCVEGCSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50505429; PubChem:CID155518418
|
Local ready
Direct docking supported
|
|
E3L058197
BDB058197
|
BDBM50505512
CC[C@H](C)[C@H](NC(=O)C(CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C
|
C96H147N23O23 1991.370000 |
VHPBLNJPILTUSD-OUUJSUSCSA-N | Q96CX2 | BTB/POZ domain-containing protein KCTD12 |
BindingDB, PubChem
BindingDB:BDBM50505512; PubChem:CID155512342
|
Local ready
Direct docking supported
|
|
E3L058198
BDB058198
|
BDBM50505513
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC(CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C
|
C90H144N26O23 1958.301000 |
RDHRVWHJDSNKHA-VYRHWTEQSA-N | Q96CX2 | BTB/POZ domain-containing protein KCTD12 |
BindingDB, PubChem
BindingDB:BDBM50505513; PubChem:CID155549470
|
Local ready
Direct docking supported
|
|
E3L058199
BDB058199
|
BDBM50505514
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
|
C105H154N28O25 2208.558000 |
SXGODIAHXSERMK-GWRTVUHKSA-N | Q96CX2 | BTB/POZ domain-containing protein KCTD12 |
BindingDB, PubChem
BindingDB:BDBM50505514; PubChem:CID155549101
|
Local ready
Direct docking supported
|
|
E3L058200
BDB058200
|
BDBM50505515
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
|
C113H154N28O26 2320.645000 |
NRGYXDNQZVMWBX-KJCAXIGXSA-N | Q96CX2 | BTB/POZ domain-containing protein KCTD12 |
BindingDB, PubChem
BindingDB:BDBM50505515; PubChem:CID155516887
|
Local ready
Direct docking supported
|