| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000341
BDB000341
|
BDBM18038
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(c1ccccc1)CC2
|
C25H31N5O 417.557000 |
UOYVKYJWAXJTTE-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18038; PubChem:CID23647915
|
Local ready
Direct docking supported
|
|
E3L000342
BDB000342
|
BDBM18039
CCc1nc(N)nc(N)c1-c1ccc2c3ccccc3n(CCCOC)c2c1
|
C22H25N5O 375.476000 |
MLSVRCGEBXIIQO-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18039; PubChem:CID6914626
|
Local ready
Direct docking supported
|
|
E3L000343
BDB000343
|
BDBM18040
CCc1nc(N)nc(NCCc2ccccc2NC(=O)c2ccc(N)c(OC)c2)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(C)O2
|
C36H43N7O5 653.784000 |
SQXBOADNRXSHPF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM18040
|
Local ready
Direct docking supported
|
|
E3L000344
BDB000344
|
BDBM18041
CCc1nc(N)nc(NCCNS(=O)(=O)c2ccc3ccccc3c2)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(C)O2
|
C32H38N6O5S 618.760000 |
RRWBDAPAGFVYPT-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18041; PubChem:CID11963547
|
Local ready
Direct docking supported
|
|
E3L000345
BDB000345
|
L-Phenylalanine
N[C@@H](Cc1ccccc1)C(=O)O
|
C9H11NO2 165.192000 |
COLNVLDHVKWLRT-QMMMGPOBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM18073; PubChem:CID6140
|
Local ready
Direct docking supported
|
|
E3L000346
BDB000346
|
BDBM18269
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(C(C)(C)C)c(OCC(=O)OC)c1)C(C)C
|
C29H50N2O5 506.728000 |
PAHLRMVTECRACY-VQPAQMSKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18269; PubChem:CID23647978
|
Local ready
Direct docking supported
|
|
E3L000347
BDB000347
|
BDBM18270
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCC(=O)OC)c1)C(C)C
|
C26H44N2O6 480.646000 |
JUPOTOZFKVZQII-GBAJDQEWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18270; PubChem:CID9982634
|
Local ready
Direct docking supported
|
|
E3L000348
BDB000348
|
BDBM18271
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(C(C)(C)C)c(OCC(N)=O)c1)C(C)C
|
C28H49N3O4 491.717000 |
PJHHGAVXRVNVSH-NMTNEYKDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18271; PubChem:CID23647979
|
Local ready
Direct docking supported
|
|
E3L000349
BDB000349
|
BDBM18272
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCC(N)=O)c1)C(C)C
|
C25H43N3O5 465.635000 |
YIDJPFWGQJGPFB-HZEGPAAWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18272; PubChem:CID10367243
|
Local ready
Direct docking supported
|
|
E3L000350
BDB000350
|
BDBM18273
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCC(=O)NC)c1)C(C)C
|
C26H45N3O5 479.662000 |
NIEPJCNTJPSOBO-GBAJDQEWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18273; PubChem:CID10367849
|
Local ready
Direct docking supported
|
|
E3L000351
BDB000351
|
BDBM18274
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(C(C)(C)C)c(OCS(C)(=O)=O)c1)C(C)C
|
C28H50N2O5S 526.784000 |
YMPLTFCIOBBXOA-VQPAQMSKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18274; PubChem:CID23647980
|
Local ready
Direct docking supported
|
|
E3L000352
BDB000352
|
BDBM18275
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCS(C)(=O)=O)c1)C(C)C
|
C25H44N2O6S 500.702000 |
ZYQLXDXIWZIRRO-GBAJDQEWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18275; PubChem:CID10458667
|
Local ready
Direct docking supported
|
|
E3L000353
BDB000353
|
BDBM18276
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(C(C)(C)C)c(OCc2ccncc2)c1)C(C)C
|
C32H51N3O3 525.778000 |
LHSZSZARRCCSIZ-FWDBPZADSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18276; PubChem:CID23644729
|
Local ready
Direct docking supported
|
|
E3L000354
BDB000354
|
BDBM18277
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCc2ccncc2)c1)C(C)C
|
C29H45N3O4 499.696000 |
ZNJMRVDDTCUBGP-NDEVUPSOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18277; PubChem:CID10074684
|
Local ready
Direct docking supported
|
|
E3L000355
BDB000355
|
BDBM18278
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCc2ccccc2)c1)C(C)C
|
C30H46N2O4 498.708000 |
OORIRDYAQRJXHO-IKPAXAHWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18278; PubChem:CID10458588
|
Local ready
Direct docking supported
|
|
E3L000356
BDB000356
|
BDBM18279
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCOC)c1)C(C)C
|
C26H46N2O5 466.663000 |
QTGWOPLHUYATRN-SWUCNREESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18279; PubChem:CID10253996
|
Local ready
Direct docking supported
|
|
E3L000357
BDB000357
|
BDBM18280
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCOCC)c1)C(C)C
|
C27H48N2O5 480.690000 |
MQDKZJRKRITDHE-KAMZKSLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18280; PubChem:CID10050847
|
Local ready
Direct docking supported
|
|
E3L000358
BDB000358
|
BDBM18281
CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C
|
C27H48N2O5 480.690000 |
HMXUWQWZWZLSAO-BIHRQFPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18281; PubChem:CID23625186
|
Local ready
Direct docking supported
|
|
E3L000359
BDB000359
|
BDBM18282
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOCC)c1)C(C)C
|
C28H50N2O5 494.717000 |
SLCBURKXFKCBTM-VZVHPENPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18282; PubChem:CID10391042
|
Local ready
Direct docking supported
|
|
E3L000360
BDB000360
|
BDBM18283
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCO)c1)C(C)C
|
C26H46N2O5 466.663000 |
MOFNHEDQVLWLOH-SWUCNREESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18283; PubChem:CID10004756
|
Local ready
Direct docking supported
|