| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050961
BDB050961
|
BDBM50282790
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@@H](C)[C@@H](c2ccccc2)N1C(=O)OCc1ccccc1
|
C28H38N2O4 466.622000 |
SUINWDRKJQHPQF-IVHGNCIMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50282790; PubChem:CID44292211
|
Local ready
Direct docking supported
|
|
E3L050962
BDB050962
|
BDBM50282990
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)P1(=O)OCCCO1
|
C30H47N4O8PS 654.767000 |
HRNBOFCWYIICIY-VZTVMPNDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282990
|
Local ready
Direct docking supported
|
|
E3L050963
BDB050963
|
BDBM50282991
COP(=O)(OC)C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
|
C29H47N4O8PS 642.756000 |
IYYCAMPSYKFZDJ-HIPOPCOKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282991
|
Local ready
Direct docking supported
|
|
E3L050964
BDB050964
|
BDBM50282992
COP(=O)(OC)C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
|
C32H49N6O8P 676.752000 |
RQAGKXXVQNGWPF-RGCQKTGTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282992
|
Local ready
Direct docking supported
|
|
E3L050965
BDB050965
|
Terlakiren
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C
|
C31H48N4O7S 620.813000 |
UZQBKCWYZBHBOW-YIPNQBBMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50282993; PubChem:CID64922
|
Local ready
Direct docking supported
|
|
E3L050966
BDB050966
|
BDBM50282994
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)P(=O)(OC)OC
|
C31H51N4O8P 638.743000 |
RNXVUDRBQHKUFO-GTXHPKBLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282994
|
Local ready
Direct docking supported
|
|
E3L050967
BDB050967
|
BDBM50282995
CCOP(=O)(OCC)C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
|
C31H51N4O8PS 670.810000 |
HIALZTMUNUZIFF-GTXHPKBLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282995
|
Local ready
Direct docking supported
|
|
E3L050968
BDB050968
|
BDBM50282996
CCCOP(=O)(OCCC)C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
|
C33H55N4O8PS 698.864000 |
KSFTWHLCJBXNSO-NNOPUOQUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282996
|
Local ready
Direct docking supported
|
|
E3L050969
BDB050969
|
BDBM50282997
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)P(=O)(OC(C)C)OC(C)C
|
C33H55N4O8PS 698.864000 |
LVFKOQVLUMAONQ-NNOPUOQUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282997
|
Local ready
Direct docking supported
|
|
E3L050970
BDB050970
|
BDBM50282998
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)P(=O)(OCc1ccccc1)OCc1ccccc1
|
C41H55N4O8PS 794.952000 |
RDOULQIPRJDDPQ-HGGGJTPQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50282998
|
Local ready
Direct docking supported
|
|
E3L050971
BDB050971
|
BDBM50283014
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C33H53N3O6 587.802000 |
CDGWOGZDSHKEGK-MYHRABSESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50283014; PubChem:CID44303995
|
Local ready
Direct docking supported
|
|
E3L050972
BDB050972
|
BDBM50283015
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCOCC1
|
C30H48N4O7S 608.802000 |
SVIMUPSLLBQFMS-PFWSVGDOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50283015; PubChem:CID44304033
|
Local ready
Direct docking supported
|
|
E3L050973
BDB050973
|
BDBM50283016
C=CC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C33H52N4O7S 648.867000 |
XGAROCSHVSORLM-STVCLKQXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50283016
|
Local ready
Direct docking supported
|
|
E3L050974
BDB050974
|
BDBM50283017
C=CC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C29H45N3O4 499.696000 |
XLVKBPQKZJXGKJ-UIPNDDLNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50283017; PubChem:CID44304333
|
Local ready
Direct docking supported
|
|
E3L050975
BDB050975
|
BDBM50283018
C=CC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C29H45N3O4 499.696000 |
XLVKBPQKZJXGKJ-JSLVBRCRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50283018; PubChem:CID44304257
|
Local ready
Direct docking supported
|
|
E3L050976
BDB050976
|
BDBM50283019
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C29H48N4O7S 596.791000 |
MZGMCXXLXLYTCQ-KJNQLLBQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50283019; PubChem:CID44303994
|
Local ready
Direct docking supported
|
|
E3L050977
BDB050977
|
BDBM50283020
C=CC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C34H53N3O6 599.813000 |
PPCKVSNDKZJRMR-FVYAUOJASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50283020
|
Local ready
Direct docking supported
|
|
E3L050978
BDB050978
|
BDBM50283021
C=CC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C34H53N3O6 599.813000 |
PPCKVSNDKZJRMR-VFFRCKCKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50283021
|
Local ready
Direct docking supported
|
|
E3L050979
BDB050979
|
Ac-Gly-Gln-Leu-Asp-Pro-Glu-Thr-Gly-Glu-Phe-Leu-OH
CC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O
|
C55H82N12O21 1247.324000 |
LMBTUDWAYBYLFI-FHEDRCCMSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50283796; PubChem:CID145950199
|
Local ready
Direct docking supported
|
|
E3L050980
BDB050980
|
cyclo[Asp-Pro-Glu-Thr-Gly-Glu-Phe-Leu-Gly-Gln-Leu]
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O
|
C53H78N12O19 1187.272000 |
ZDUXQRUQCLUZNW-NRPBRGEBSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50283797; PubChem:CID145955302
|
Local ready
Direct docking supported
|