| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044141
BDB044141
|
BDBM50022377
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(C)(=O)=O
|
C31H47N5O7S 633.812000 |
QJCVLUSXQMPSSP-FWEHEUNISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022377; PubChem:CID13892829
|
Local ready
Direct docking supported
|
|
E3L044142
BDB044142
|
BDBM50022378
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C36H53N3O7S 671.901000 |
MRGXHFZESRGLTB-YDPTYEFTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022378; PubChem:CID13892844
|
Local ready
Direct docking supported
|
|
E3L044143
BDB044143
|
BDBM50022379
COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CS(=O)(=O)C(C)C)cc1
|
C34H53N5O8S 691.892000 |
PXLPJESVINIZQF-KRCBVYEFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022379
|
Local ready
Direct docking supported
|
|
E3L044144
BDB044144
|
BDBM50022380
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C41H62N4O9S 787.033000 |
MZSQCRTWGPGKSZ-ZYADHFCISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022380
|
Local ready
Direct docking supported
|
|
E3L044145
BDB044145
|
BDBM50022381
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C
|
C31H47N5O7S 633.812000 |
SUGXSTKXEOJPRE-LJWNLINESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022381; PubChem:CID13892917
|
Local ready
Direct docking supported
|
|
E3L044146
BDB044146
|
BDBM50022382
CC(C)CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C34H53N5O5S 643.895000 |
RWOYVLPPDFJQSW-KRCBVYEFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022382; PubChem:CID13892816
|
Local ready
Direct docking supported
|
|
E3L044147
BDB044147
|
BDBM50022383
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CSC1CCCCC1
|
C36H49N5O5S 663.885000 |
HMCAWJFMGDIQPA-YDPTYEFTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022383; PubChem:CID13892812
|
Local ready
Direct docking supported
|
|
E3L044148
BDB044148
|
H2N-His-Pro-Phe-His-Sta-Leu-PheOMe
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C49H68N12O8 953.159000 |
ODUCLFWAICXWKU-CGPBGQDFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022507; PubChem:CID118718365
|
Local ready
Direct docking supported
|
|
E3L044149
BDB044149
|
Boc-Pro-Phe-NMe-His-Leu-OHCH2-Val-Ile-Amp
CC[C@H](C)[C@H](NC(=O)C(CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
|
C50H75N9O8 930.205000 |
SASWSEQJAITMKS-XSBZJUPLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022508; PubChem:CID44387610
|
Local ready
Direct docking supported
|
|
E3L044150
BDB044150
|
Boc-Phe-Phe-Sta-Ala-Sta-OMe
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)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C43H65N5O10 812.018000 |
GDWNAJGFHLZQOE-CAYFOIAYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022509; PubChem:CID118718350
|
Local ready
Direct docking supported
|
|
E3L044151
BDB044151
|
Boc-Phe-His-Leu-CF3-Ile-Amp
CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H54F2N8O7 796.917000 |
YJEITIRWMUEULI-WNTFFZHHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022510; PubChem:CID44371838
|
Local ready
Direct docking supported
|
|
E3L044152
BDB044152
|
Boc-Trp-His-Sta-Ala-Sta-OMe
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)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
|
C42H64N8O10 841.020000 |
QWBOCOHZLMYOIA-ZCSJZHTNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022511; PubChem:CID118718351
|
Local ready
Direct docking supported
|
|
E3L044153
BDB044153
|
Ibu-His-Pro-Phe-Ala-Sta-Leu-PheNH2
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C50H72N10O9 957.187000 |
AXPZKKXXAVKYMP-BMALBKBCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022512; PubChem:CID118718353
|
Local ready
Direct docking supported
|
|
E3L044154
BDB044154
|
POA-His-Sta-Leu-PheOMe
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COC(=O)C(C)(C)C
|
C37H56N6O9 728.888000 |
AIVLRUHSRSDVJP-NWCBYQDHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022515; PubChem:CID118718355
|
Local ready
Direct docking supported
|
|
E3L044155
BDB044155
|
Boc-Trp-Trp-Sta-Ala-Sta-OMe
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]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
|
C47H67N7O10 890.092000 |
JVHYJYRMDZDSFP-HCQDFYHWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022516; PubChem:CID13384518
|
Local ready
Direct docking supported
|
|
E3L044156
BDB044156
|
POA-Leu-Sta-Leu-PheOMe
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COC(=O)C(C)(C)C
|
C37H60N4O9 704.906000 |
LKKZJXADTMQDID-NWCBYQDHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022517; PubChem:CID118718356
|
Local ready
Direct docking supported
|
|
E3L044157
BDB044157
|
H 142
CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O
|
C60H91N17O10 1210.497000 |
XIZSMQBWVQNHCA-NIRMQQKASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022518; PubChem:CID134897
|
Local ready
Direct docking supported
|
|
E3L044158
BDB044158
|
Ibu-His-Pro-Phe-His-Sta-Leu-PheNH2
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C53H74N12O9 1023.250000 |
RGRJAYIFMWMDJD-IMISAUSMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022519; PubChem:CID118718352
|
Local ready
Direct docking supported
|
|
E3L044159
BDB044159
|
H2N-Abu-Pro-Phe-Abu-Sta-Leu-PheOMe
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCN
|
C46H69N7O9 864.098000 |
MIDSCNPYWQVXPP-XMZLAPHDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022520; PubChem:CID118718354
|
Local ready
Direct docking supported
|
|
E3L044160
BDB044160
|
Boc-Phe-His-Cha-CH2-S-Leu-NHCO(CH2)2C6H5
CC(C)CC(NC(=O)CCc1ccccc1)SCC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C44H64N6O6S 805.099000 |
OKBAITUXSBCPEF-DVVBUKOBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022521; PubChem:CID44371769
|
Local ready
Direct docking supported
|