| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055241
BDB055241
|
BDBM50406401
CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(N)=O
|
C40H62N8O7 766.985000 |
ORXRRFXMVQFHKZ-LEZLZINTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406401
|
Local ready
Direct docking supported
|
|
E3L055242
BDB055242
|
BDBM50406402
CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C)C(N)=O
|
C35H55N7O6 669.868000 |
AMNCUVOPDCWOMA-FKVQNEAASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406402
|
Local ready
Direct docking supported
|
|
E3L055243
BDB055243
|
Ac-Pro-Phe-His-Sta-Ile-NH2
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(N)=O
|
C36H54N8O7 710.877000 |
LKJXIHREYWWQJH-XINBMJEESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50406403; PubChem:CID70694806
|
Local ready
Direct docking supported
|
|
E3L055244
BDB055244
|
H-Pro-His-Pro-Phe-His-Phe-Phe-Ile-His-Lys-OH
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)O
|
C67H87N17O11 1306.541000 |
VOQRPADEWLBEBT-GUBPWTFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50406404; PubChem:CID16142490
|
Local ready
Direct docking supported
|
|
E3L055245
BDB055245
|
BDBM50406405
CC[C@H](C)[C@H](NC(=O)C[C@H](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](Cc1cnc[nH]1)NC(C)=O)C(N)=O
|
C42H61N11O8 848.019000 |
CDISWMCLLRNTSQ-KAJBDHFLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406405
|
Local ready
Direct docking supported
|
|
E3L055246
BDB055246
|
Ac-Phe-His-Sta-Ile-NH2
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(N)=O
|
C31H47N7O6 613.760000 |
CKCITZPMCRNTMC-GSOWEQMBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50406406; PubChem:CID70692762
|
Local ready
Direct docking supported
|
|
E3L055247
BDB055247
|
BDBM50406407
CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(C)C)C(=O)NCc1ccccn1
|
C42H60N8O6S 805.059000 |
TZVFBLXCGCHIFW-ZPEYPUEESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406407
|
Local ready
Direct docking supported
|
|
E3L055248
BDB055248
|
BDBM50406408
CCC(C)CNC(=O)[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O
|
C45H58N8O5 791.010000 |
JJCHUSVSNFOQEZ-FZTZLJACSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406408
|
Local ready
Direct docking supported
|
|
E3L055249
BDB055249
|
BDBM50406409
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CN[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1
|
C35H41N7O4 623.758000 |
WVWCNNDRPSTJGK-YDPTYEFTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50406409; PubChem:CID10394156
|
Local ready
Direct docking supported
|
|
E3L055250
BDB055250
|
BDBM50406410
CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(C)=O)C(C)C)C(N)=O
|
C40H62N8O7 766.985000 |
ORXRRFXMVQFHKZ-ZBVSKFKLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406410
|
Local ready
Direct docking supported
|
|
E3L055251
BDB055251
|
BDBM50406415
CC(C)Cc1nc(-c2ccccc2)cn2c(CC(=O)N[C@@H](CC3CCCCC3)[C@H](O)C3CCCCC3)nnc12
|
C32H45N5O2 531.745000 |
UKGMHHVMMOSXJJ-SUYBVONHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50406415; PubChem:CID14775318
|
Local ready
Direct docking supported
|
|
E3L055252
BDB055252
|
BDBM50406416
CC(C)Cc1nc(-c2ccccc2)cn2c(CC(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C3CCCCC3)nnc12
|
C32H45N5O2 531.745000 |
UKGMHHVMMOSXJJ-HVNZXBJASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50406416; PubChem:CID14775317
|
Local ready
Direct docking supported
|
|
E3L055253
BDB055253
|
BDBM50406420
CC(C)Cc1nc(-c2ccccc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)C(N)CC(=O)NC(CC(C)C)C(=O)NCc3ccccn3)nnc12
|
C46H60N10O3 801.053000 |
ATLHHAOOYRUXSA-SSYFDZPSSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406420
|
Local ready
Direct docking supported
|
|
E3L055254
BDB055254
|
BDBM50406421
CC(C)Cc1nc(-c2ccccc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)C(N)CC(=O)NC(CC(C)C)C(=O)NCc3ccccn3)nnc12
|
C46H60N10O3 801.053000 |
ATLHHAOOYRUXSA-JEWBTKAFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406421
|
Local ready
Direct docking supported
|
|
E3L055255
BDB055255
|
BDBM50406473
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCO[P+]([O-])(O)O)C(C)C)C(=O)NCc1cccc[n+]1[O-]
|
C49H74N9O12P 1012.156000 |
KFCDLRKAUPBHBD-KPXWLAQUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406473
|
Local ready
Direct docking supported
|
|
E3L055256
BDB055256
|
BDBM50406474
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCCC(=O)N(C)CCS(=O)(=O)O)C(C)C)C(=O)NCc1cccc[n+]1[O-]
|
C56H86N10O12S 1123.429000 |
YAHBTIXSJMYHMF-MRQREOCBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406474
|
Local ready
Direct docking supported
|
|
E3L055257
BDB055257
|
BDBM50406475
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CO[P+]([O-])(O)O)C(C)C)C(=O)NCc1cccc[n+]1[O-]
|
C47H70N9O12P 984.102000 |
APMOVMFBSHFCLN-UMCACFELSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406475
|
Local ready
Direct docking supported
|
|
E3L055258
BDB055258
|
BDBM50406476
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCCC(=O)N(C)CCS(=O)(=O)O)C(C)C)C(=O)NCc1ccccn1
|
C56H86N10O11S 1107.430000 |
ZOUJULXUSYOINE-MRQREOCBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406476
|
Local ready
Direct docking supported
|
|
E3L055259
BDB055259
|
BDBM50406808
Cc1noc(C)c1-c1ccc2c(c1)O[C@H](CC(C)C)C(=O)N2
|
C17H20N2O3 300.358000 |
VKBVOWLGZGFPGL-OAHLLOKOSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50406808; PubChem:CID145954766
|
Local ready
Direct docking supported
|
|
E3L055260
BDB055260
|
BDBM50406811
Cc1noc(C)c1-c1ccc2c(c1)O[C@H](CC1CC1)C(=O)N2
|
C17H18N2O3 298.342000 |
CMSYOXFBNZPEJB-OAHLLOKOSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50406811; PubChem:CID134828588
|
Local ready
Direct docking supported
|