| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043621
BDB043621
|
BDBM50009912
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(C/C=C\CNC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C45H58N4O5 734.982000 |
MZEKVVJCMBYYLX-FUIUPQBUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009912; PubChem:CID44458537
|
Local ready
Direct docking supported
|
|
E3L043622
BDB043622
|
BDBM50009913
CC(C)(C)OC(=O)NCC#CCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C52H67N5O7 874.136000 |
QJGASVJTWTYJAK-LYOGXYCBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009913
|
Local ready
Direct docking supported
|
|
E3L043623
BDB043623
|
BDBM50009914
CC(C)CC(NC(=O)C(CCCCNC(=N)N[N+](=O)[O-])NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C40H61N9O9 811.982000 |
DJMRLHSCDBTTMM-ADGZEHFQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009914
|
Local ready
Direct docking supported
|
|
E3L043624
BDB043624
|
BDBM50009915
NCCC1CN(C(=O)C[C@H](O)C(CC2CCCCC2)NC(=O)C(CC#CCNC=O)NC(=O)C(Cc2cccc3ccccc23)Cc2cccc3ccccc23)CCO1
|
C48H59N5O6 802.029000 |
YHWBUOKQPGXDCB-BNRLSTEOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009915
|
Local ready
Direct docking supported
|
|
E3L043625
BDB043625
|
BDBM50009916
CC(=O)NCC#CCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C49H61N5O6 816.056000 |
JFOHYFRGADOZJK-YECNPVCESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009916
|
Local ready
Direct docking supported
|
|
E3L043626
BDB043626
|
BDBM50009917
CCC(C)CNC(=O)C[C@H](O)C(CC1CCCCC1)NC(=O)C(CCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C48H65N5O4S 808.146000 |
ZAZTWBIXYDMKTI-FMBQCHBFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009917
|
Local ready
Direct docking supported
|
|
E3L043627
BDB043627
|
BDBM50009918
CNC(=S)NCCCCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C38H64N8O8S2 825.112000 |
JXJSFUYIFVZHMV-XMCIUJAFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009918
|
Local ready
Direct docking supported
|
|
E3L043628
BDB043628
|
BDBM50009919
CSC(=NC#N)NCCCCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C47H61N7O5S 836.116000 |
ADTJKKLWHRZXAH-OSRPPQEKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009919
|
Local ready
Direct docking supported
|
|
E3L043629
BDB043629
|
BDBM50009920
CNC(=S)NCC#CCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C49H62N6O5S 847.139000 |
YXZRGSPUPBPBBQ-BNRLSTEOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009920
|
Local ready
Direct docking supported
|
|
E3L043630
BDB043630
|
BDBM50010405
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CSC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
|
C40H63N7O7S 786.053000 |
GHOSSUACYAUAKQ-WITQEOTBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50010405
|
Local ready
Direct docking supported
|
|
E3L043631
BDB043631
|
BDBM50010406
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCC[N+](C)(C)C)C(=O)NCc1cnc(C)nc1N
|
C42H68N9O6+ 795.063000 |
KWOAFAXXAHMPCT-KVJDXRNMSA-O | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50010406; PubChem:CID15109760
|
Local ready
Direct docking supported
|
|
E3L043632
BDB043632
|
BDBM50010407
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CS(=O)(=O)CC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
|
C40H61N7O9S 816.035000 |
HCHGOFLDYWGIJR-PMKJXMQSSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50010407
|
Local ready
Direct docking supported
|
|
E3L043633
BDB043633
|
BDBM50010408
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(N)CC1)C(=O)NCc1cnc(C)nc1N
|
C41H64N10O6 793.027000 |
HZSPXNCSLJOMIF-NQKKVWJDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50010408
|
Local ready
Direct docking supported
|
|
E3L043634
BDB043634
|
BDBM50010409
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CSC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
|
C40H63N7O7S 786.053000 |
GHOSSUACYAUAKQ-ZWKLJLBZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50010409
|
Local ready
Direct docking supported
|
|
E3L043635
BDB043635
|
BDBM50010410
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
|
C40H63N7O7 753.986000 |
IJCHNOXSWVSDOP-IRODVYFGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50010410
|
Local ready
Direct docking supported
|
|
E3L043636
BDB043636
|
BDBM50010411
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[S+]([O-])CC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
|
C40H61N7O8S 800.036000 |
OZAXHGSXTCHUBZ-IEQWJIHLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50010411
|
Local ready
Direct docking supported
|
|
E3L043637
BDB043637
|
BDBM50010412
CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
|
C41H65N7O7S 800.080000 |
NBHPPUJYQFRWKJ-LXWVMJOTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50010412
|
Local ready
Direct docking supported
|
|
E3L043638
BDB043638
|
BDBM50010413
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
|
C40H63N7O7 753.986000 |
IJCHNOXSWVSDOP-WITQEOTBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50010413
|
Local ready
Direct docking supported
|
|
E3L043639
BDB043639
|
BDBM50010415
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)C(=O)NCc1cnc(C)nc1N
|
C46H72N10O8 893.144000 |
SRTQIVBOFPIILO-XWLYGYOUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50010415
|
Local ready
Direct docking supported
|
|
E3L043640
BDB043640
|
BDBM50010416
CCOC(=O)C1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CC(=O)N[C@H](C(=O)NCc2cnc(C)nc2N)[C@@H](C)CC)CC1
|
C44H67N9O8 850.075000 |
OJSJJFYMVWKMPG-KUCMJJRQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50010416
|
Local ready
Direct docking supported
|