| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008641
BDB008641
|
BDBM212562
COCCCn1cc(Cl)c2cnc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C21H29ClN4O3 420.941000 |
SVDOVHHPIHAJKQ-VBKZILBWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212562; PubChem:CID68310605
|
Local ready
Direct docking supported
|
|
E3L008642
BDB008642
|
BDBM212563
COCCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)ccc1OC
|
C22H34N2O4 390.524000 |
WMRAMVMXQYECGV-IIBYNOLFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212563; PubChem:CID117877398
|
Local ready
Direct docking supported
|
|
E3L008643
BDB008643
|
BDBM212564
COCCCn1cc(C)c2cnc(C(C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C22H32N4O3 400.523000 |
UDFOMAHHJAVFQC-CAWMZFRYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212564; PubChem:CID117877397
|
Local ready
Direct docking supported
|
|
E3L008644
BDB008644
|
BDBM212565
COCCCn1nc(F)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C21H29FN4O3 404.486000 |
DULOZSBAWRRXCM-AUUYWEPGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212565; PubChem:CID68310604
|
Local ready
Direct docking supported
|
|
E3L008645
BDB008645
|
BDBM212566
COCCCn1nc(F)c2ccc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C21H29FN4O3 404.486000 |
DULOZSBAWRRXCM-IFXJQAMLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212566; PubChem:CID89939719
|
Local ready
Direct docking supported
|
|
E3L008646
BDB008646
|
BDBM212567
COCCCn1nc(C)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCN3)C3CC3)cc21
|
C22H33N5O2 399.539000 |
MJKMHWSERGNIAA-OXQOHEQNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212567; PubChem:CID68308687
|
Local ready
Direct docking supported
|
|
E3L008647
BDB008647
|
BDBM212568
COCCCOc1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)nc2ccccc12
|
C22H30N4O4 414.506000 |
VTVINOQRYMOHJT-DNVCBOLYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212568; PubChem:CID117883172
|
Local ready
Direct docking supported
|
|
E3L008648
BDB008648
|
BDBM212569
COCCCOc1nc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)nc2ccccc12
|
C22H30N4O4 414.506000 |
VTVINOQRYMOHJT-HNAYVOBHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212569; PubChem:CID68308692
|
Local ready
Direct docking supported
|
|
E3L008649
BDB008649
|
BDBM212570
COCCCn1ccc2ncc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C21H30N4O3 386.496000 |
KGSCPYCUASLWSQ-FOIQADDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212570; PubChem:CID68310609
|
Local ready
Direct docking supported
|
|
E3L008650
BDB008650
|
BDBM212571
COCCOCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21
|
C22H32N4O4 416.522000 |
AFNNIJQXMPHYQP-OXQOHEQNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212571; PubChem:CID68310607
|
Local ready
Direct docking supported
|
|
E3L008651
BDB008651
|
BDBM212572
CCOc1ccc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc1OCCCOC
|
C22H34N2O5 406.523000 |
FKPUKFABDDSOQE-IIBYNOLFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212572; PubChem:CID117883141
|
Local ready
Direct docking supported
|
|
E3L008652
BDB008652
|
BDBM212573
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)ccc1OC(C)C
|
C23H36N2O5 420.550000 |
IXAUISGOYLLWLX-VGOFRKELSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212573; PubChem:CID117883210
|
Local ready
Direct docking supported
|
|
E3L008653
BDB008653
|
BDBM212574
COCCCOc1ccc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc1OCCCOC
|
C24H38N2O6 450.576000 |
RHVSIUKMPHRTRM-WZONZLPQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212574; PubChem:CID89939656
|
Local ready
Direct docking supported
|
|
E3L008654
BDB008654
|
BDBM212575
COCCCCn1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2nccc(C)c21
|
C23H34N4O3 414.550000 |
WKZWILRTAVHOOS-YLJYHZDGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212575; PubChem:CID117883208
|
Local ready
Direct docking supported
|
|
E3L008655
BDB008655
|
BDBM212576
COCCCCn1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2nccc(C)c21
|
C23H34N4O3 414.550000 |
WKZWILRTAVHOOS-FXAWDEMLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212576; PubChem:CID117883209
|
Local ready
Direct docking supported
|
|
E3L008656
BDB008656
|
BDBM212577
COC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2cccnc21
|
C21H30N6O4 430.509000 |
IGXZOTGJSKGMAP-RHSMWYFYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212577; PubChem:CID117877474
|
Local ready
Direct docking supported
|
|
E3L008657
BDB008657
|
BDBM212578
COC(=O)NCCCn1nc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2cccnc21
|
C21H30N6O4 430.509000 |
IGXZOTGJSKGMAP-WMLDXEAASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212578; PubChem:CID117877475
|
Local ready
Direct docking supported
|
|
E3L008658
BDB008658
|
Sitokiren
COC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)nc21
|
C22H32N6O4 444.536000 |
GRTDDIZIUSADLD-CRAIPNDOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212579; PubChem:CID117877477
|
Local ready
Direct docking supported
|
|
E3L008659
BDB008659
|
BDBM212580
COC(=O)NCCCn1nc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)nc21
|
C22H32N6O4 444.536000 |
GRTDDIZIUSADLD-MAUKXSAKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212580; PubChem:CID117877476
|
Local ready
Direct docking supported
|
|
E3L008660
BDB008660
|
BDBM212582
COC(=O)NCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cnc1OC
|
C21H32N4O5 420.510000 |
IZAPORQANWABNM-RDTXWAMCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212582; PubChem:CID117877485
|
Local ready
Direct docking supported
|