| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054241
BDB054241
|
BDBM50367713
CC[C@@H](C)[C@H](NC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCCN)C(=O)O
|
C57H82N16O10 1151.385000 |
ZKASXDKOZRZPEZ-VEXQBUDCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50367713
|
Local ready
Direct docking supported
|
|
E3L054242
BDB054242
|
BDBM50367714
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCCN)C(=O)O
|
C60H91N17O10 1210.497000 |
XIZSMQBWVQNHCA-PVMXTDDOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50367714
|
Local ready
Direct docking supported
|
|
E3L054243
BDB054243
|
H-D-Pro-His-D-Pro-Phe-His-Phe-Phe-aIle-His-D-Lys-OH
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCCN)C(=O)O
|
C67H87N17O11 1306.541000 |
VOQRPADEWLBEBT-OFFDLOKFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50367715; PubChem:CID56661194
|
Local ready
Direct docking supported
|
|
E3L054244
BDB054244
|
BDBM50367716
CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[S+]([O-])C[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCCN)C(=O)O
|
C60H90N16O11S 1243.548000 |
YLZYXSULTYKTTL-QOHSLSENSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50367716
|
Local ready
Direct docking supported
|
|
E3L054245
BDB054245
|
BDBM50367717
CC[C@@H](C)[C@H](NC(=O)[C@@H](SC[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCCN)C(=O)O
|
C60H90N16O10S 1227.549000 |
ADMSLPHZKPUGJN-PVMXTDDOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50367717
|
Local ready
Direct docking supported
|
|
E3L054246
BDB054246
|
H-Pro-His-Pro-Phe-His-Sta(3xi,4S)-Ile-His-D-Lys-OH
CC[C@H](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@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CCCCN)C(=O)O
|
C57H84N16O11 1169.400000 |
XTEXKANGLALXRB-VZDFEWFDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50367718; PubChem:CID73355790
|
Local ready
Direct docking supported
|
|
E3L054247
BDB054247
|
BDBM50367737
Cn1cc(-c2ccc(S(=O)(=O)N3CCC(Nc4ccc(C#N)cn4)CC3)cc2)cn1
|
C21H22N6O2S 422.514000 |
MBFRPRCYZAVISU-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50367737; PubChem:CID145951220
|
Local ready
Direct docking supported
|
|
E3L054248
BDB054248
|
BDBM50367849
Cn1cc(-c2ccc(N(C(=O)NCc3ccccc3)[C@H]3CC[C@@H](Nc4ccc(C#N)cn4)CC3)cc2)cn1
|
C30H31N7O 505.626000 |
KHMZQQYEYPDOBI-DBAYTGFXSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM50367849
|
Local ready
Direct docking supported
|
|
E3L054249
BDB054249
|
BDBM50368104
CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)C(C(=O)Cc1ccccc1)C(O)C(=O)O)C(C)C)C(=O)N(C)c1ccccn1
|
C36H52N4O8 668.832000 |
WVFVYHKXJBDHSE-WOECRGELSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50368104
|
Local ready
Direct docking supported
|
|
E3L054250
BDB054250
|
BDBM50368105
CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)O)NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1
|
C36H53N5O8 683.847000 |
ZPWKVMAYCMIMPO-KJBNLFAXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50368105
|
Local ready
Direct docking supported
|
|
E3L054251
BDB054251
|
BDBM50368106
CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1
|
C38H55N7O6 705.901000 |
GKJKDBJJJCYMPS-BRAULPTRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50368106
|
Local ready
Direct docking supported
|
|
E3L054252
BDB054252
|
BDBM50368107
CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)O)NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1
|
C39H57N5O7 707.913000 |
BGPNTBTZDFVHQN-AYGOVYNNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50368107
|
Local ready
Direct docking supported
|
|
E3L054253
BDB054253
|
BDBM50368108
CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1
|
C36H53N5O7 667.848000 |
YLZJDTWDUXGNGQ-KDXIPBEISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50368108
|
Local ready
Direct docking supported
|
|
E3L054254
BDB054254
|
BDBM50368109
CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)C(C(=O)COc1ccccc1)C(O)C(=O)O)C(C)C)C(=O)N(C)c1ccccn1
|
C36H52N4O9 684.831000 |
MRCDCBFNFBQWQV-WOECRGELSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50368109
|
Local ready
Direct docking supported
|
|
E3L054255
BDB054255
|
BDBM50368110
CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)O)NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1
|
C36H53N5O7 667.848000 |
YLZJDTWDUXGNGQ-KJBNLFAXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50368110
|
Local ready
Direct docking supported
|
|
E3L054256
BDB054256
|
BDBM50368111
CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1
|
C38H55N7O5 689.902000 |
YKGFCXAVGLYHPE-BRAULPTRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50368111
|
Local ready
Direct docking supported
|
|
E3L054257
BDB054257
|
BDBM50368112
CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)O)NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1
|
C39H57N5O8 723.912000 |
QEXACAZNQMMROC-AYGOVYNNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50368112
|
Local ready
Direct docking supported
|
|
E3L054258
BDB054258
|
BDBM50368142
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)n1c(O)ccc(NC(O)OCc2ccccc2)c(=O)[nH]c(Cc2ccccc2)c1O)C(=O)NC
|
C46H58N8O8 851.018000 |
KFLQWSKRZKTYNE-VRNBALPTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50368142
|
Local ready
Direct docking supported
|
|
E3L054259
BDB054259
|
BDBM50368155
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN(C)C)C(=O)NCc1cnc(C)nc1N
|
C42H67N9O6 794.055000 |
BNRQBPANZZOZHA-OMUMOAHXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50368155
|
Local ready
Direct docking supported
|
|
E3L054260
BDB054260
|
BDBM50368156
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CC(C)(C)N)C(=O)NCc1cnc(C)nc1N
|
C40H63N9O6 766.001000 |
FNYXLVDAMGHCMH-RGXDSYRCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50368156
|
Local ready
Direct docking supported
|