| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044501
BDB044501
|
BDBM50024172
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC
|
C43H65N5O10 812.018000 |
WBHAHKAAUWGEAL-WKXYWZNJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024172
|
Local ready
Direct docking supported
|
|
E3L044502
BDB044502
|
BDBM50024174
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C43H65N5O10 812.018000 |
GDWNAJGFHLZQOE-XRSSCVGRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024174
|
Local ready
Direct docking supported
|
|
E3L044503
BDB044503
|
BDBM50024175
COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C
|
C36H59N5O9 705.894000 |
MOOSDYDAYNVGTR-UEGJGPFLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024175
|
Local ready
Direct docking supported
|
|
E3L044504
BDB044504
|
BDBM50024176
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1
|
C44H61N5O10S 852.064000 |
JJRVOOACXKINQH-HBLAKGRZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024176
|
Local ready
Direct docking supported
|
|
E3L044505
BDB044505
|
BDBM50024177
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC
|
C37H65N7O10 767.966000 |
VAFZPVTYYFBEQS-AXBVTYBQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024177
|
Local ready
Direct docking supported
|
|
E3L044506
BDB044506
|
BDBM50024178
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)OC(C)(C)C
|
C44H73N7O10 860.107000 |
DLVFMDJVJLFXDL-JLVLYQIOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024178
|
Local ready
Direct docking supported
|
|
E3L044507
BDB044507
|
BDBM50024179
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C
|
C44H67N5O10 826.045000 |
URGZJJZACMROIV-XJBRGVOTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024179
|
Local ready
Direct docking supported
|
|
E3L044508
BDB044508
|
BDBM50024180
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
|
C42H61N5O10 795.975000 |
SPRCTPAQWGCNES-XRSSCVGRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024180
|
Local ready
Direct docking supported
|
|
E3L044509
BDB044509
|
BDBM50024181
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
|
C42H64N8O10 841.020000 |
QWBOCOHZLMYOIA-PTQLHCGHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024181
|
Local ready
Direct docking supported
|
|
E3L044510
BDB044510
|
BDBM50024182
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CCNC(=O)OC(C)(C)C
|
C45H70N6O12S 919.152000 |
GPZWGPXVZPGJSK-CNHYKFQWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024182
|
Local ready
Direct docking supported
|
|
E3L044511
BDB044511
|
BDBM50024183
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C
|
C40H68N6O9 777.017000 |
QIQUTOLNRWMTPB-UBRBMPCJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024183
|
Local ready
Direct docking supported
|
|
E3L044512
BDB044512
|
BDBM50024184
CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC
|
C36H59N5O10 721.893000 |
KCTRPWIZEWKQHY-RQKKIUEJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024184
|
Local ready
Direct docking supported
|
|
E3L044513
BDB044513
|
BDBM50024185
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C
|
C37H61N5O9 719.921000 |
PMIWDBHJHMQBCF-QBDURWQSSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024185
|
Local ready
Direct docking supported
|
|
E3L044514
BDB044514
|
BDBM50024187
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O
|
C39H65N5O10 763.974000 |
FMSNHXJMQQDQDP-CXZRMZRFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024187
|
Local ready
Direct docking supported
|
|
E3L044515
BDB044515
|
BDBM50024188
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1
|
C42H63N5O10 797.991000 |
UQRLTDGJFDZWII-KBTJZILRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024188
|
Local ready
Direct docking supported
|
|
E3L044516
BDB044516
|
BDBM50024189
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC12CC3CC(CC(C3)C1)C2
|
C49H71N5O10 890.132000 |
LOGPOWZDQKSNSA-UMQJNBGPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024189
|
Local ready
Direct docking supported
|
|
E3L044517
BDB044517
|
BDBM50024190
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CCNC(=O)OCc1ccccc1
|
C45H66N8O12S 943.134000 |
OHACZARSUJUIBA-HBLAKGRZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024190
|
Local ready
Direct docking supported
|
|
E3L044518
BDB044518
|
BDBM50024191
CCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC
|
C35H59N5O8 677.884000 |
WZHKLEDIWDFXHV-RQKKIUEJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50024191; PubChem:CID90663159
|
Local ready
Direct docking supported
|
|
E3L044519
BDB044519
|
BDBM50024192
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O
|
C40H59N5O9 753.938000 |
QXTJWKGAYDYVPT-OLPQHFNPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024192
|
Local ready
Direct docking supported
|
|
E3L044520
BDB044520
|
BDBM50024193
COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C
|
C38H63N5O9 733.948000 |
WWRLILFLYDWLOD-FWGUYBTESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024193
|
Local ready
Direct docking supported
|