| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044221
BDB044221
|
BDBM50022637
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C31H47N5O5 569.747000 |
DDAOADFZGJHVFQ-MYHRABSESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022637; PubChem:CID14212944
|
Local ready
Direct docking supported
|
|
E3L044222
BDB044222
|
BDBM50022638
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C31H55N5O6 593.810000 |
IGJMWGUHBVBEBD-JSLVBRCRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022638; PubChem:CID14212923
|
Local ready
Direct docking supported
|
|
E3L044223
BDB044223
|
BDBM50022639
CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC
|
C27H47N5O6 537.702000 |
IWRVXXDGBDHSOH-QCCYXRBGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022639; PubChem:CID14212983
|
Local ready
Direct docking supported
|
|
E3L044224
BDB044224
|
BDBM50022640
CC(C)CC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C35H55N5O6 641.854000 |
DFGMQFCAADFHHZ-STVCLKQXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022640; PubChem:CID14212975
|
Local ready
Direct docking supported
|
|
E3L044225
BDB044225
|
BDBM50022641
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(=Cc1ccccc1)CC(=O)N1CCOCC1
|
C35H51N5O6 637.822000 |
YJRMSIGIZFUSEF-DKWHRJCPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022641
|
Local ready
Direct docking supported
|
|
E3L044226
BDB044226
|
BDBM50022642
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
|
C35H54N6O6 654.853000 |
SZVGGXRNUYPZQE-QEUNAIBPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022642
|
Local ready
Direct docking supported
|
|
E3L044227
BDB044227
|
BDBM50022643
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(O)CC1
|
C35H54N6O6 654.853000 |
QWUCPMIROCABIX-QEUNAIBPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022643
|
Local ready
Direct docking supported
|
|
E3L044228
BDB044228
|
BDBM50022644
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCNCC1
|
C34H53N7O5 639.842000 |
SFHASZWKUUAYBP-STVCLKQXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022644
|
Local ready
Direct docking supported
|
|
E3L044229
BDB044229
|
BDBM50022645
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)CCO
|
C33H52N6O6 628.815000 |
DRJKKOJWAZDQPP-VFFRCKCKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022645; PubChem:CID14213031
|
Local ready
Direct docking supported
|
|
E3L044230
BDB044230
|
BDBM50022646
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCc1ccccc1)NC(=O)N1CCOCC1
|
C35H54N6O6 654.853000 |
WGCPZAUVBBFSKE-QEUNAIBPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022646
|
Local ready
Direct docking supported
|
|
E3L044231
BDB044231
|
BDBM50022647
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
|
C35H53N5O6 639.838000 |
BZLKEVBCMKAFEF-QCZWDIFZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022647; PubChem:CID14213044
|
Local ready
Direct docking supported
|
|
E3L044232
BDB044232
|
BDBM50022648
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCOCC1
|
C34H52N6O6 640.826000 |
BKRGZLNTVJYOPW-GKFQJYPJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022648
|
Local ready
Direct docking supported
|
|
E3L044233
BDB044233
|
BDBM50022649
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)C
|
C32H50N6O5 598.789000 |
BUTLRPLOHRQFSC-MYHRABSESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022649; PubChem:CID14213025
|
Local ready
Direct docking supported
|
|
E3L044234
BDB044234
|
BDBM50022650
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
|
C34H52N6O6 640.826000 |
BKRGZLNTVJYOPW-STVCLKQXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022650
|
Local ready
Direct docking supported
|
|
E3L044235
BDB044235
|
BDBM50022651
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)=NC(=O)N1CCOCC1
|
C34H50N6O6 638.810000 |
ZCVAUFBJLDIPEC-MUFAAYGBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022651
|
Local ready
Direct docking supported
|
|
E3L044236
BDB044236
|
BDBM50022652
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)N1CCOCC1)C(C)(C)c1ccccc1
|
C36H56N6O6 668.880000 |
QFRBODJINASZPA-WTOCPUKLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022652
|
Local ready
Direct docking supported
|
|
E3L044237
BDB044237
|
BDBM50022653
COc1ccc(C[C@H](NC(=O)N2CCOCC2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
|
C35H54N6O7 670.852000 |
FUALOJLLIBPFFU-QEUNAIBPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022653
|
Local ready
Direct docking supported
|
|
E3L044238
BDB044238
|
BDBM50022654
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCOCC1
|
C34H51N5O7 641.810000 |
JLXIREFYHQBCCG-STVCLKQXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022654; PubChem:CID14213040
|
Local ready
Direct docking supported
|
|
E3L044239
BDB044239
|
Ac-Ftr-Pro-Phe-His-Sta-Ile-NH2
CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(N)=O
|
C48H64N10O9 925.101000 |
MVKIAKQYOLSMAX-ZUASMSMSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022835; PubChem:CID44332800
|
Local ready
Direct docking supported
|
|
E3L044240
BDB044240
|
BDBM50022836
CC[C@H](C)[C@H](NC(=O)C(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC
|
C71H108N20O15 1481.770000 |
ZAPJILOJSDYNKT-ILXMSBBISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022836; PubChem:CID44332761
|
Local ready
Direct docking supported
|