| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044441
BDB044441
|
Boc-Phe-His-Sta-Leu-(-)-alpha-phenylthylamide
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1ccccc1)c1ccccc1
|
C48H65N7O7 852.090000 |
RDIHBRMRBRGJRM-KNNFAOMSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023092; PubChem:CID44297960
|
Local ready
Direct docking supported
|
|
E3L044442
BDB044442
|
BDBM50023093
C=C1c2ccccc2CC(NC(=O)[C@H](CC(C)C)NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21
|
C50H65N7O7 876.112000 |
JPVWOKQLLOKBLS-PWNZBVGMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023093; PubChem:CID44298059
|
Local ready
Direct docking supported
|
|
E3L044443
BDB044443
|
BDBM50023094
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(c1ccccc1)C(O)c1ccccc1
|
C48H65N7O8 868.089000 |
XISJEIAEBUULQA-DKTARQFNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023094; PubChem:CID44297958
|
Local ready
Direct docking supported
|
|
E3L044444
BDB044444
|
Boc-Phe-His-Sta-Leu-(+)-alpha-naphthylthylamide
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)c1ccc2ccccc2c1
|
C46H63N7O7 826.052000 |
FCXGXFYPZHSKTG-LKSYIKKFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023095; PubChem:CID44297959
|
Local ready
Direct docking supported
|
|
E3L044445
BDB044445
|
Boc-Phe-His-Sta-Leu-(+)-alpha-phenylthylamide
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)c1ccccc1
|
C42H61N7O7 775.992000 |
QMSOVNSNYWLMDM-CBHLHXOBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023096; PubChem:CID44298072
|
Local ready
Direct docking supported
|
|
E3L044446
BDB044446
|
BDBM50023098
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCN(C)C
|
C34H55N5O6 629.843000 |
ONJDMLLUNWHMPL-JSRHHAARSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023098; PubChem:CID13877763
|
Local ready
Direct docking supported
|
|
E3L044447
BDB044447
|
BDBM50023099
C=C(C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCC(C)C
|
C32H52N4O6 588.790000 |
KJXRVOZIOXGWGD-MNUOIFNESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023099; PubChem:CID13877767
|
Local ready
Direct docking supported
|
|
E3L044448
BDB044448
|
BDBM50023100
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C)C(=O)NC
|
C35H52N6O5 636.838000 |
RIMFTOHBLPPNOM-KRCBVYEFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023100
|
Local ready
Direct docking supported
|
|
E3L044449
BDB044449
|
BDBM50023101
CNC(=O)C1(C[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CO1
|
C31H48N4O7 588.746000 |
IKGNWHVZQVNYTA-VLYBMZSBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023101; PubChem:CID13877814
|
Local ready
Direct docking supported
|
|
E3L044450
BDB044450
|
BDBM50023102
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(=O)NCCC(C)C
|
C32H54N6O7 634.819000 |
CASDXUDZAJNUIT-FWEHEUNISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023102
|
Local ready
Direct docking supported
|
|
E3L044451
BDB044451
|
BDBM50023105
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(=O)NCCC(C)C
|
C36H54N6O6 666.864000 |
MTSFYWYUMSFYNX-YDPTYEFTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023105
|
Local ready
Direct docking supported
|
|
E3L044452
BDB044452
|
BDBM50023106
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1
|
C38H54N4O6 662.872000 |
SDJYNSURDYMMLL-MKKRQWMVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023106; PubChem:CID13877759
|
Local ready
Direct docking supported
|
|
E3L044453
BDB044453
|
BDBM50023107
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCC(C)C
|
C35H56N4O6 628.855000 |
BRMKUTFJDGNOQQ-ABYARXGNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023107; PubChem:CID13877753
|
Local ready
Direct docking supported
|
|
E3L044454
BDB044454
|
BDBM50023108
C=C(C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(C)C
|
C31H50N4O6 574.763000 |
FMLDLRNKYZJZDT-GKXKVECMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023108; PubChem:CID13877770
|
Local ready
Direct docking supported
|
|
E3L044455
BDB044455
|
BDBM50023109
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NCCC(C)C
|
C35H52N6O5 636.838000 |
JNEQDLOAUYUGFG-YDPTYEFTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023109
|
Local ready
Direct docking supported
|
|
E3L044456
BDB044456
|
BDBM50023110
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC1CCCCC1
|
C37H58N4O6 654.893000 |
VGWROGCNEHPXRP-NYKRYVCLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023110; PubChem:CID13877757
|
Local ready
Direct docking supported
|
|
E3L044457
BDB044457
|
BDBM50023111
CC(C)CCNC(=O)C1(C[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CO1
|
C35H56N4O7 644.854000 |
XGYCHBUBDDMFIP-NOEZWDEJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023111; PubChem:CID13877812
|
Local ready
Direct docking supported
|
|
E3L044458
BDB044458
|
BDBM50023112
CC(C)CNC(=O)[C@](O)(CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C40H64N6O7 740.987000 |
HRIIFGLGUOOICO-IKKRJENISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023112
|
Local ready
Direct docking supported
|
|
E3L044459
BDB044459
|
BDBM50023113
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)CN(C)C
|
C43H65N5O6 748.022000 |
SCYVWLRCLGQTRD-BQYLNSIHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023113
|
Local ready
Direct docking supported
|
|
E3L044460
BDB044460
|
BDBM50023114
CC(C)CCNC(=O)[C@@](C)(O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C38H60N6O7 712.933000 |
COCDSOIMARBICK-XJVHMKQHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023114
|
Local ready
Direct docking supported
|