| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043141
BDB043141
|
BDBM50002970
CC(C)OC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C34H51N5O7 641.810000 |
OONGXWDAIDMVFM-CGCRQRNGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50002970; PubChem:CID44344886
|
Local ready
Direct docking supported
|
|
E3L043142
BDB043142
|
BDBM50002971
CC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
|
C34H49N5O5S 639.863000 |
FYDPHJLAPZGAEJ-WBUPHKQUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50002971; PubChem:CID44345110
|
Local ready
Direct docking supported
|
|
E3L043143
BDB043143
|
BDBM50002972
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccccc1=O
|
C34H49N5O6S 655.862000 |
HYLLVLPQGWZUHR-KRCBVYEFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002972
|
Local ready
Direct docking supported
|
|
E3L043144
BDB043144
|
BDBM50002973
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccncc1
|
C35H51N5O5S2 685.957000 |
GBZJUXXQDANXHV-YDPTYEFTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002973
|
Local ready
Direct docking supported
|
|
E3L043145
BDB043145
|
BDBM50002974
NC1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CCSc2ccccn2)CC1
|
C37H51N7O5S 705.926000 |
OZFZEVAJUHXLRM-YRCZKMHPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002974
|
Local ready
Direct docking supported
|
|
E3L043146
BDB043146
|
BDBM50002975
CCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
|
C36H53N5O5S 667.917000 |
LVGMKZGFMFKDTM-PTMYVKAOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50002975; PubChem:CID44345017
|
Local ready
Direct docking supported
|
|
E3L043147
BDB043147
|
BDBM50002976
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)COc1ccncc1
|
C34H49N5O6S 655.862000 |
KLENYDNRGAWIAG-ORYMTKCHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002976
|
Local ready
Direct docking supported
|
|
E3L043148
BDB043148
|
BDBM50002977
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nnc(C)s1
|
C33H50N6O5S3 707.001000 |
NLDDSFIWYIFSEC-DZUOILHNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002977
|
Local ready
Direct docking supported
|
|
E3L043149
BDB043149
|
BDBM50002978
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(O)CCSc1ccccn1
|
C36H50N6O5S 678.900000 |
BEFLIBGMQADGKE-AYFAOMBPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50002978; PubChem:CID44344887
|
Local ready
Direct docking supported
|
|
E3L043150
BDB043150
|
BDBM50002979
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nnnn1C
|
C32H50N8O5S2 690.937000 |
CEVZFFRSTOBDSX-LJWNLINESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002979
|
Local ready
Direct docking supported
|
|
E3L043151
BDB043151
|
BDBM50002980
CCCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
|
C37H55N5O5S 681.944000 |
XLLDPLOTIOIWDK-UCJDAUIDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002980
|
Local ready
Direct docking supported
|
|
E3L043152
BDB043152
|
BDBM50002981
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccc(=O)cc1
|
C34H49N5O6S 655.862000 |
RWNFORGFQCZXSD-ORYMTKCHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002981
|
Local ready
Direct docking supported
|
|
E3L043153
BDB043153
|
BDBM50002982
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(O)CCOc1ccccn1
|
C36H50N6O6 662.832000 |
CAVAPHXQEDUAPR-AYFAOMBPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50002982; PubChem:CID44345173
|
Local ready
Direct docking supported
|
|
E3L043154
BDB043154
|
BDBM50002983
CC(C)CC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
|
C37H55N5O5S 681.944000 |
JKPVPRNBQSDFKM-NROWOOLRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002983
|
Local ready
Direct docking supported
|
|
E3L043155
BDB043155
|
BDBM50002984
CC(C)(C)S(=O)(=O)C[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
|
C36H51N5O5S2 697.968000 |
PKLACMNPILZKAG-MCEBTLFFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002984
|
Local ready
Direct docking supported
|
|
E3L043156
BDB043156
|
BDBM50002985
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nccs1
|
C33H49N5O5S3 691.986000 |
FPMGNJVZWARWBM-DZUOILHNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002985
|
Local ready
Direct docking supported
|
|
E3L043157
BDB043157
|
BDBM50002986
CSCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
|
C36H53N5O5S2 699.984000 |
PMSOAMPMDRCKQW-PTMYVKAOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002986
|
Local ready
Direct docking supported
|
|
E3L043158
BDB043158
|
BDBM50002987
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ncccn1
|
C34H50N6O5S2 686.945000 |
LWOMUKMVKQHDJB-KRCBVYEFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002987
|
Local ready
Direct docking supported
|
|
E3L043159
BDB043159
|
BDBM50002988
O=C(N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCOCC1
|
C36H48N6O6S 692.883000 |
SGVVJMWXKIYERU-YDPTYEFTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002988
|
Local ready
Direct docking supported
|
|
E3L043160
BDB043160
|
BDBM50002989
CSCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
|
C35H51N5O5S2 685.957000 |
OMQKMJJDKHVGCK-LFCSJMILSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50002989
|
Local ready
Direct docking supported
|