| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044481
BDB044481
|
BDBM50024149
CC[C@H](C)[C@H](NC(=O)C(F)(F)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C43H60F2N8O7 838.998000 |
JTPXYWDIEPQVGB-RDWYXHKHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024149
|
Local ready
Direct docking supported
|
|
E3L044482
BDB044482
|
BDBM50024150
CC[C@H](C)[C@H](NC(=O)C(F)(F)[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H56F2N8O7 798.933000 |
ZZWUQYGFPYGYRB-LXGYDSHWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024150
|
Local ready
Direct docking supported
|
|
E3L044483
BDB044483
|
BDBM50024151
CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
|
C45H68N8O7 833.088000 |
GZLJWPHAIJJFOD-HBLAKGRZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024151
|
Local ready
Direct docking supported
|
|
E3L044484
BDB044484
|
BDBM50024152
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C41H60N8O7 776.980000 |
YCORHQFIUPALIG-UFMVUKTPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024152
|
Local ready
Direct docking supported
|
|
E3L044485
BDB044485
|
BDBM50024153
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C46H67N9O8 874.097000 |
JLEIRHCPAYNNLA-GCRPBELOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024153
|
Local ready
Direct docking supported
|
|
E3L044486
BDB044486
|
BDBM50024154
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C44H62N6O7 787.015000 |
WMVXJTIOCDOZEM-ZOXHAYSISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024154
|
Local ready
Direct docking supported
|
|
E3L044487
BDB044487
|
BDBM50024155
CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
|
C49H74N10O7 915.194000 |
DJZNBVSOXONXNB-HLDHWKMPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024155
|
Local ready
Direct docking supported
|
|
E3L044488
BDB044488
|
Ditekiren
CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)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-JJNNLWIXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50024156; PubChem:CID5464201
|
Local ready
Direct docking supported
|
|
E3L044489
BDB044489
|
BDBM50024157
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C44H62N6O7 787.015000 |
SOCJYLMGQLCRAC-YRXCYBTESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024157
|
Local ready
Direct docking supported
|
|
E3L044490
BDB044490
|
BDBM50024158
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C44H62N6O7 787.015000 |
DLWWPCJEFVDWAV-QEIPATGSSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024158
|
Local ready
Direct docking supported
|
|
E3L044491
BDB044491
|
BDBM50024159
CCC(C)C(NC(=O)CC(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)N(C)C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C41H60N8O7 776.980000 |
HKPDMGNOFMSZFO-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024159
|
Local ready
Direct docking supported
|
|
E3L044492
BDB044492
|
BDBM50024160
CC[C@H](C)[C@H](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)C(=O)NCc1ccccn1
|
C44H62N6O7 787.015000 |
DTTFRGCNPBBQJD-ZOXHAYSISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024160
|
Local ready
Direct docking supported
|
|
E3L044493
BDB044493
|
BDBM50024161
CC[C@H](C)[C@H](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)C(=O)NCc1ccccn1
|
C43H60N6O7 772.988000 |
QDCHJWDMWJTPIK-YABAZIRISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024161
|
Local ready
Direct docking supported
|
|
E3L044494
BDB044494
|
BDBM50024162
CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
|
C44H67N9O6 818.077000 |
WKCSOWIXGMAMES-SSNICEMUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024162
|
Local ready
Direct docking supported
|
|
E3L044495
BDB044495
|
BDBM50024163
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](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(C)C
|
C44H64N6O10 837.028000 |
OBRHZWCYAVPXND-AJUYTZQHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024163
|
Local ready
Direct docking supported
|
|
E3L044496
BDB044496
|
BDBM50024164
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@](C)(Cc1ccccc1)NC(=O)OC(C)(C)C
|
C44H67N5O10 826.045000 |
ASEFDWGOBWNUTF-HDFZTPQBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024164
|
Local ready
Direct docking supported
|
|
E3L044497
BDB044497
|
BDBM50024165
CCC[C@H](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)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)CC(C)C
|
C39H65N5O9 747.975000 |
XQQBRFKXMJQQJG-VJBGVNKVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024165
|
Local ready
Direct docking supported
|
|
E3L044498
BDB044498
|
BDBM50024166
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)OCc1ccccc1
|
C46H63N5O10 846.035000 |
WPCFURQHDKJTAG-UIMAKAFSSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024166
|
Local ready
Direct docking supported
|
|
E3L044499
BDB044499
|
Isovaleryl-phe-nle-sta-ala-sta-OH
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(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
|
C39H65N5O9 747.975000 |
WHOPFGFKWFYQSR-VJBGVNKVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50024167; PubChem:CID13605353
|
Local ready
Direct docking supported
|
|
E3L044500
BDB044500
|
BDBM50024169
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](Cc1ccccc1)NC(=O)OCc1ccccc1
|
C48H64N6O10 885.072000 |
HVJKKUSHHCSGEI-XKDADYKASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024169
|
Local ready
Direct docking supported
|