| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043741
BDB043741
|
BDBM50012747
COP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC
|
C32H54N3O8P 639.771000 |
PVADTBGUAWNBMH-LJWNLINESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012747; PubChem:CID90663428
|
Local ready
Direct docking supported
|
|
E3L043742
BDB043742
|
BDBM50012748
COP(=O)(C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC
|
C29H46N5O8P 623.688000 |
VMLZFVUGKIKCRS-QORCZRPOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012748; PubChem:CID90663433
|
Local ready
Direct docking supported
|
|
E3L043743
BDB043743
|
BDBM50012749
COP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C)OC
|
C33H52N5O7P 661.781000 |
FXFRHJXUUMKFPI-DZUOILHNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012749
|
Local ready
Direct docking supported
|
|
E3L043744
BDB043744
|
BDBM50012750
COP(=O)(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC
|
C32H44N5O8P 657.705000 |
WIPHPCNULLJMBS-LAJGZZDBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012750; PubChem:CID90663431
|
Local ready
Direct docking supported
|
|
E3L043745
BDB043745
|
BDBM50012751
CCOP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OCC
|
C34H54N5O8P 691.807000 |
NRPBAVWIOYZNFJ-KRCBVYEFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012751; PubChem:CID90663437
|
Local ready
Direct docking supported
|
|
E3L043746
BDB043746
|
BDBM50012752
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CP1(=O)OCCCO1
|
C33H50N5O8P 675.764000 |
CIJKARFXFYWWKM-DZUOILHNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012752
|
Local ready
Direct docking supported
|
|
E3L043747
BDB043747
|
BDBM50012753
CC(C)OP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC(C)C
|
C36H58N5O8P 719.861000 |
QOOPUUQBNPENEC-YDPTYEFTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012753; PubChem:CID90663436
|
Local ready
Direct docking supported
|
|
E3L043748
BDB043748
|
BDBM50012754
COP(=O)(CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)OC
|
C29H42N3O8P 591.642000 |
KYPJHOXMTZIWER-JWLGTRHOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012754; PubChem:CID44367156
|
Local ready
Direct docking supported
|
|
E3L043749
BDB043749
|
BDBM50012755
COP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC
|
C32H50N5O8P 663.753000 |
DOVBDVGFLOFMTQ-LJWNLINESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012755; PubChem:CID90663430
|
Local ready
Direct docking supported
|
|
E3L043750
BDB043750
|
BDBM50012756
CCCCOP(=O)(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OCCCC
|
C38H62N5O8P 747.915000 |
DQOYUUUWJMGWRH-CUPIEXAXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012756; PubChem:CID90663439
|
Local ready
Direct docking supported
|
|
E3L043751
BDB043751
|
BDBM50012757
COP(=O)(O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C31H52N3O8P 625.744000 |
UXKFRMXMSKVHEO-FWEHEUNISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012757; PubChem:CID90663427
|
Local ready
Direct docking supported
|
|
E3L043752
BDB043752
|
BDBM50012758
COP(=O)(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC
|
C32H44N5O8P 657.705000 |
WIPHPCNULLJMBS-LJWNLINESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012758
|
Local ready
Direct docking supported
|
|
E3L043753
BDB043753
|
BDBM50012922
CC(C)Cc1nc(-c2ccccc2)cn2c(C(Cc3cccnc3)C(=O)NC(=O)CC(O)C(CC3CCCCC3)NC(=O)C(CC(C)C)NCc3ccccn3)nnc12
|
C46H59N9O4 802.037000 |
ATVAFUOHBKPGNW-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012922
|
Local ready
Direct docking supported
|
|
E3L043754
BDB043754
|
BDBM50012923
CC(C)Cc1nc(-c2ccccc2)cn2c(C(Cc3cccnc3)C(=O)NC(=O)CC(O)C(CC3CCCCC3)NC(=O)C(CC(C)C)NCc3cccc(CN)c3)nnc12
|
C48H63N9O4 830.091000 |
ASLJBJSPXXPPAB-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012923
|
Local ready
Direct docking supported
|
|
E3L043755
BDB043755
|
BDBM50012924
CC(C)Cc1nc(-c2ccccc2)cn2c(C(Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)C(O)C3CCCCC3)nnc12
|
C38H50N6O2 622.858000 |
PNOBZWGOSSILRU-AGZWOZCOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012924; PubChem:CID44314870
|
Local ready
Direct docking supported
|
|
E3L043756
BDB043756
|
BDBM50012925
CC(C)Cc1nc(-c2ccccc2)cn2c(C(Cc3cccnc3)C(=O)NC(=O)C[C@H](O)[C@H](CC3CCCCC3)NC(=O)C(CC(C)C)NCCCC[C@H](N)C(=O)O)nnc12
|
C46H65N9O6 840.083000 |
ZCEZSSVRVOFGQC-DXKTUJFCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012925
|
Local ready
Direct docking supported
|
|
E3L043757
BDB043757
|
BDBM50012926
CCCc1nc(C)cn2c(CC(=O)N[C@@H](CC3CCCCC3)C(O)C3CCCCC3)nnc12
|
C26H41N5O2 455.647000 |
HZIZOKBELBKGTB-XADRRFQNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012926; PubChem:CID44314576
|
Local ready
Direct docking supported
|
|
E3L043758
BDB043758
|
BDBM50012927
CCCc1nc(-c2ccccc2)cn2c(CC(=O)N[C@@H](CC3CCCCC3)C(O)C3CCCCC3)nnc12
|
C31H43N5O2 517.718000 |
QLTWQIALNCTIMZ-PKMDPOOCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50012927; PubChem:CID44314903
|
Local ready
Direct docking supported
|
|
E3L043759
BDB043759
|
BDBM50012928
CCCc1nc(-c2cccnc2)cn2c(C(Cc3cccnc3)C(=O)NC(=O)C[C@H](O)[C@H](CC3CCCCC3)NC(=O)C(CC(C)C)NCc3cccc(CN)c3)nnc12
|
C46H60N10O4 817.052000 |
XSXGHGGDCVJQTH-KRMJQCEZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012928
|
Local ready
Direct docking supported
|
|
E3L043760
BDB043760
|
BDBM50012929
CC(C)Cc1nc(-c2ccccc2)cn2c(C(Cc3cccnc3)C(=O)NC(=O)CC(O)C(CC(C)C)NC(=O)C(CC(C)C)NCc3cccc(CN)c3)nnc12
|
C45H59N9O4 790.026000 |
XHVWVRVMAWQJBS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50012929
|
Local ready
Direct docking supported
|