| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063281
BDB063281
|
BDBM50616020
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCOCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn4nc(-c5ccc6oc(N)nc6c5)c5c(N)ncnc54)nn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C91H138N12O24 1784.165000 |
QDOGZMBPRITPMZ-XIQIGJHASA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616020
|
Local ready
Direct docking supported
|
|
E3L063282
BDB063282
|
BDBM50616021
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn4nc(-c5ccc6oc(N)nc6c5)c5c(N)ncnc54)nn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C92H140N12O23 1782.193000 |
VAXOTKGRKVHQLH-FJHUEDONSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616021
|
Local ready
Direct docking supported
|
|
E3L063283
BDB063283
|
BDBM50616022
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCOCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn4nc(-c5cc6cc(O)ccc6[nH]5)c5c(N)ncnc54)nn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C92H139N11O24 1783.177000 |
GQCPOWLHVMDLGD-YOWUXWTGSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616022
|
Local ready
Direct docking supported
|
|
E3L063284
BDB063284
|
BDBM50616023
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn4nc(-c5cc6cc(O)ccc6[nH]5)c5c(N)ncnc54)nn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C93H141N11O23 1781.205000 |
CDVMSFKGTWBIBF-UDGWQDMISA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616023
|
Local ready
Direct docking supported
|
|
E3L063285
BDB063285
|
BDBM50616024
COc1ccc(-c2ccc3ncc4c(c3c2)n(C)c(=O)n4-c2ccc(N3CCN(C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCn4cc(CCCCO[C@@H]5CC[C@@H](C[C@@H](C)[C@@H]6CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OC)C[C@@H]7CC[C@@H](C)[C@@](O)(O7)C(=O)C(=O)N7CCCC[C@H]7C(=O)O6)C[C@H]5OC)nn4)CC3)c(C(F)(F)F)c2)cn1
|
C104H147F3N10O24 1978.360000 |
VBYDEGWWWKRCPS-BXLXOCPSSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616024
|
Local ready
Direct docking supported
|
|
E3L063286
BDB063286
|
BDBM50616025
COc1ccc(-c2ccc3ncc4c(c3c2)n(C)c(=O)n4-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)cn1
|
C28H25F3N6O2 534.542000 |
YHYWJMRHJZANJK-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50616025; PubChem:CID172465447
|
Local ready
Direct docking supported
|
|
E3L063287
BDB063287
|
BDBM50616026
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn4nc(-c5cnc6[nH]ccc6c5)c5c(N)ncnc54)nn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C92H140N12O22 1766.194000 |
OBEPVKXFRQZDCB-LSLRLJNXSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616026
|
Local ready
Direct docking supported
|
|
E3L063288
BDB063288
|
BDBM50616027
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N4CCc5cc(Cn6nc(-c7ccc8oc(N)nc8c7)c7c(N)ncnc76)ccc5C4)nn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C98H142N12O23 1856.275000 |
KHMMMZFXKIACGP-NFEXEEMKSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616027
|
Local ready
Direct docking supported
|
|
E3L063289
BDB063289
|
BDBM50616028
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N4CCC(Cn5nc(-c6ccc7oc(N)nc7c6)c6c(N)ncnc65)CC4)nn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C94H142N12O23 1808.231000 |
NWHXHTQTESHVJT-BMLXFIOCSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616028
|
Local ready
Direct docking supported
|
|
E3L063290
BDB063290
|
BDBM50616029
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn4nc(-c5ccc6oc(N)nc6c5)c5c(N(C)C)ncnc54)nn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C94H144N12O23 1810.247000 |
DDZSBINJAGOFDK-RKTJTLFGSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616029
|
Local ready
Direct docking supported
|
|
E3L063291
BDB063291
|
BDBM50616030
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCCc3cn(CCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn4nc(-c5cnc6[nH]ccc6c5)c5c(N)ncnc54)nn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C88H132N12O20 1678.088000 |
COLNITJAPAQHCQ-ZTDBFVETSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616030
|
Local ready
Direct docking supported
|
|
E3L063292
BDB063292
|
BDBM50616031
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCCc3cn(CCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn4nc(-c5cc6cc(O)ccc6[nH]5)c5c(N)ncnc54)nn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C89H133N11O21 1693.099000 |
QUBPAMUWIHBFNS-NVFRRFOHSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616031
|
Local ready
Direct docking supported
|
|
E3L063293
BDB063293
|
BDBM50616032
COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCN(C(=O)CCOCCOCCOCCOCCOCCOCCn5cc(CCCCO[C@@H]6CC[C@@H](C[C@@H](C)[C@@H]7CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OC)C[C@@H]8CC[C@@H](C)[C@@](O)(O8)C(=O)C(=O)N8CCCC[C@H]8C(=O)O7)C[C@H]6OC)nn5)CC3)c(C(F)(F)F)c2)c(=O)n4C)cn1
|
C100H139F3N10O22 1890.254000 |
CWBIGVLHTJERIK-MRWMWIRPSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616032
|
Local ready
Direct docking supported
|
|
E3L063294
BDB063294
|
BDBM50616033
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCCc3cn(CCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn4nc(-c5ccc6oc(N)nc6c5)c5c(N)ncnc54)nn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C88H132N12O21 1694.087000 |
CJDSQNSAHPDXGA-LHQZBKMHSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616033
|
Local ready
Direct docking supported
|
|
E3L063295
BDB063295
|
BDBM50616034
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCCCc3cn(CCOCCOCCOCCOCCOCCC(=O)NCCCCn4nc(-c5ccc6oc(N)nc6c5)c5c(N)ncnc54)nn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C86H128N12O20 1650.034000 |
SSCGARDPFCUSOD-STZJFXDCSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616034
|
Local ready
Direct docking supported
|
|
E3L063296
BDB063296
|
BDBM50616035
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C87H132N10O24 1702.059000 |
CXNJMEKHRWATCZ-OVPWUKCKSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616035
|
Local ready
Direct docking supported
|
|
E3L063297
BDB063297
|
(32-Carbonyl)-RMC-5552
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N3CCc4cc(Cn5nc(-c6ccc7oc(N)nc7c6)c6c(N)ncnc65)ccc4C3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C93H134N10O24 1776.141000 |
CHLJLODIXLIFHL-VPQIPYMUSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50616036; PubChem:CID162642651
|
Local ready
Direct docking supported
|
|
E3L063298
BDB063298
|
BDBM50616037
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCS(=O)(=O)c3ccc(C(=O)N4CCOc5ccc(-c6ccc(N)nc6)cc5C4)c(C)c3F)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C95H139FN6O27S 1848.237000 |
NTCZAFQHMWRHDH-GIZPQMQQSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616037
|
Local ready
Direct docking supported
|
|
E3L063299
BDB063299
|
BDBM50616038
CO[C@@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)O)O1)/C(C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)C(=O)/C=C\[C@H](C)C[C@@H]1CC[C@@H](OCCCCc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)nn2)[C@H](OC)C1
|
C92H140N12O23 1782.193000 |
ZTXMWXWZYOHCDZ-KRPGYTETSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616038
|
Local ready
Direct docking supported
|
|
E3L063300
BDB063300
|
BDBM50616039
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O/C([C@H](C)C[C@@H]2CC[C@@H](OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N3CCc4cc(Cn5nc(-c6ccc7oc(N)nc7c6)c6c(N)ncnc65)ccc4C3)[C@H](OC)C2)=C/C(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C93H132N10O24 1774.125000 |
CHENAZPUZOFPIZ-KZJHUSLMSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50616039
|
Local ready
Direct docking supported
|