| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050861
BDB050861
|
BDBM50280230
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1ccnc1)NC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]1S(=O)(=O)C(C)C
|
C33H50N4O6S 630.852000 |
SUVOULMEGDPBJQ-KHMBHJAXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280230
|
Local ready
Direct docking supported
|
|
E3L050862
BDB050862
|
BDBM50280231
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H]1[C@@H](C2CCCCC2)[C@H]1S(=O)(=O)C(C)C
|
C33H55N3O6S2 653.952000 |
DCGABJCABSHRLP-KHMBHJAXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280231
|
Local ready
Direct docking supported
|
|
E3L050863
BDB050863
|
BDBM50280232
CCCC[C@H](NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)C(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C33H54N2O6S 606.870000 |
VUPHLEZDJPQNQD-XFSWMMSRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280232
|
Local ready
Direct docking supported
|
|
E3L050864
BDB050864
|
BDBM50280233
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H]1[C@H](C2CCCCC2)[C@@H]1S(=O)(=O)C(C)C
|
C33H55N3O6S2 653.952000 |
DCGABJCABSHRLP-XFSWMMSRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280233
|
Local ready
Direct docking supported
|
|
E3L050865
BDB050865
|
BDBM50280234
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCOCC1
|
C34H52N4O7S2 692.945000 |
UQYOXWMTMMKIAU-QMVABORWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50280234; PubChem:CID44279834
|
Local ready
Direct docking supported
|
|
E3L050866
BDB050866
|
BDBM50280235
CC(C)C[C@H](NC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]1S(=O)(=O)C(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C33H54N2O6S 606.870000 |
DTIIDFAAHDQNEL-KHMBHJAXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280235
|
Local ready
Direct docking supported
|
|
E3L050867
BDB050867
|
BDBM50280236
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1
|
C36H47N3O6S2 681.921000 |
NUVTUVJMRGASLG-HGUZUDCWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280236
|
Local ready
Direct docking supported
|
|
E3L050868
BDB050868
|
BDBM50280237
COCOCCS(=O)(=O)[C@H]1[C@H](C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)[C@H]1c1ccccc1
|
C34H51N3O8S2 693.929000 |
RTSVASATXQMPJW-HXZLNTDVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280237
|
Local ready
Direct docking supported
|
|
E3L050869
BDB050869
|
BDBM50280238
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1ccnc1)NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1S(=O)(=O)C(C)C
|
C33H50N4O6S 630.852000 |
SUVOULMEGDPBJQ-XFSWMMSRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280238
|
Local ready
Direct docking supported
|
|
E3L050870
BDB050870
|
BDBM50280489
CCC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)CN
|
C31H48F2N4O5 594.744000 |
QNZBFRKAECKBST-GSDHBNRESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280489
|
Local ready
Direct docking supported
|
|
E3L050871
BDB050871
|
BDBM50280490
CCC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC(C)C)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)CN
|
C31H50F2N4O5 596.760000 |
GKNJKOUZVBSATI-HVUBRIRVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280490
|
Local ready
Direct docking supported
|
|
E3L050872
BDB050872
|
BDBM50280491
COc1ccc(C[C@H](NC(=O)CC(C)C)C(=O)CCC(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)CN)cc1
|
C29H43F2N3O5 551.675000 |
CMUOZLZRAHPTCD-ZEQRLZLVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50280491; PubChem:CID44373080
|
Local ready
Direct docking supported
|
|
E3L050873
BDB050873
|
BDBM50280492
CCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)CN)N(C)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC(C)C
|
C32H50F2N4O5 608.771000 |
YKTLVHADOSXGLD-QKDODKLFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280492
|
Local ready
Direct docking supported
|
|
E3L050874
BDB050874
|
BDBM50280493
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)F
|
C30H44F3N3O5 583.692000 |
NRSNVZFGGSLOQS-HJOGWXRNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50280493; PubChem:CID44373189
|
Local ready
Direct docking supported
|
|
E3L050875
BDB050875
|
BDBM50280494
COc1ccc(C[C@H](NC(=O)CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC2CCCCC2)C(=O)C(F)(F)CN)cc1
|
C29H44F2N4O5 566.690000 |
SUDWKZKPTSHHRS-YGOYIFOWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50280494
|
Local ready
Direct docking supported
|
|
E3L050876
BDB050876
|
BDBM50280998
C=CC[C@H](NC(=O)CNS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCC(Cc2ccccc2)CC1)[C@@H](O)[C@@H](O)CC(C)C
|
C32H52N4O7S 636.856000 |
GNWBVFNYIXWJJZ-QYIDTEORSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50280998; PubChem:CID10258546
|
Local ready
Direct docking supported
|
|
E3L050877
BDB050877
|
BDBM50280999
C=CC[C@H](NC(=O)CNS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CC=C(c2ccccc2)CC1)[C@@H](O)[C@@H](O)CC(C)C
|
C31H48N4O7S 620.813000 |
ZXLWZNOOPSOVOA-FTOZNQQUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50280999; PubChem:CID10461538
|
Local ready
Direct docking supported
|
|
E3L050878
BDB050878
|
BDBM50281000
C=CC[C@H](NC(=O)CNS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C25H46N4O7S 546.731000 |
RPFURGBTWWNZLG-GRSYGWAWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281000; PubChem:CID10370232
|
Local ready
Direct docking supported
|
|
E3L050879
BDB050879
|
BDBM50281001
C=CC[C@H](NC(=O)CNS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCC(c2cccc3ccccc23)CC1)[C@@H](O)[C@@H](O)CC(C)C
|
C35H52N4O7S 672.889000 |
SHISCDWBOWEBFO-GBYZZCKUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281001; PubChem:CID10327161
|
Local ready
Direct docking supported
|
|
E3L050880
BDB050880
|
BDBM50281002
C=CC[C@H](NC(=O)CNS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCC(c2ccccc2)CC1)[C@@H](O)[C@@H](O)CC(C)C
|
C31H50N4O7S 622.829000 |
DJIMBMLLMISXTG-UVFSPSTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281002; PubChem:CID10009074
|
Local ready
Direct docking supported
|