| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020301
BDB020301
|
US10875851, Example 66
CCC(=O)N1CCC([C@@H](NC2CCCCC2)C(=O)N2CCN(C(=O)Oc3ccccc3Cl)C[C@H]2C(=O)NCc2cccs2)CC1
|
C33H44ClN5O5S 658.265000 |
OYQSDUHORGJDSO-BHBYDHKZSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476410; PubChem:CID146263656
|
Local ready
Direct docking supported
|
|
E3L020302
BDB020302
|
US10875851, Example 67
CC(C)(C)CC(=O)N1CCC([C@@H](NC2CCCCC2)C(=O)N2CCN(C(=O)Oc3ccccc3Cl)C[C@H]2C(=O)NCc2cccs2)CC1
|
C36H50ClN5O5S 700.346000 |
GIBBLHFNVDGUSA-BHDXBOSCSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476411; PubChem:CID146263701
|
Local ready
Direct docking supported
|
|
E3L020303
BDB020303
|
US10875851, Example 68
O=C(NCc1cccs1)[C@@H]1CN(C(=O)Oc2ccccc2Cl)CCN1C(=O)[C@H](NC1CCCCC1)C1CCN(C(=O)c2cscn2)CC1
|
C34H41ClN6O5S2 713.326000 |
SVBZRROGTKEKDL-MFMCTBQISA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476412; PubChem:CID146263712
|
Local ready
Direct docking supported
|
|
E3L020304
BDB020304
|
US10875851, Example 69
CC(C)(C)C(=O)N1CCC([C@@H](NC2CCCCC2)C(=O)N2CCN(C(=O)Oc3ccccc3Cl)C[C@H]2C(=O)NCc2cccs2)CC1
|
C35H48ClN5O5S 686.319000 |
RHCCJLOYZUUFRC-MFMCTBQISA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476413; PubChem:CID146263658
|
Local ready
Direct docking supported
|
|
E3L020305
BDB020305
|
US10875851, Example 70
CS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C(=O)Oc2ccc3ccccc3c2Cl)C[C@H]1C(=O)NCc1cccs1
|
C34H44ClN5O6S2 718.342000 |
OIAOOENDLFBDOV-WDYNHAJCSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476414; PubChem:CID146257627
|
Local ready
Direct docking supported
|
|
E3L020306
BDB020306
|
US10875851, Example 71
CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)N1CCN(C(=O)Oc2ccc3ccccc3c2Cl)C[C@H]1C(=O)NCc1cccs1
|
C44H55ClN6O6S2 863.547000 |
KBMCYUFXRPHOOR-VTOQXNJGSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476415; PubChem:CID146257303
|
Local ready
Direct docking supported
|
|
E3L020307
BDB020307
|
US10875851, Example 72
CS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C(=O)Oc2ccccc2Cl)C[C@H]1C(=O)NCc1cccs1
|
C30H42ClN5O6S2 668.282000 |
JXQWRHUOFALSOA-FTJBHMTQSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476416; PubChem:CID146257553
|
Local ready
Direct docking supported
|
|
E3L020308
BDB020308
|
US10875851, Example 73
CN(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C(=O)Oc2ccccc2Cl)C[C@H]1C(=O)NCc1cccs1
|
C31H44ClN5O4S 618.244000 |
WHZRABRWVLHXJH-SXOMAYOGSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476417; PubChem:CID146257581
|
Local ready
Direct docking supported
|
|
E3L020309
BDB020309
|
US10875851, Example 74
COc1cc(CNC(=O)[C@@H]2CN(C(=O)Oc3ccc4ccccc4c3Cl)CCN2C(=O)[C@@H](CCCCNS(C)(=O)=O)NC2CCC3(CC2)CCN(Cc2ccccc2)C3)ccc1CN
|
C48H62ClN7O7S 916.586000 |
KBWBSTVPIPXISE-HRYFAEDISA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476418; PubChem:CID146263680
|
Local ready
Direct docking supported
|
|
E3L020310
BDB020310
|
US10875851, Example 75
COC(N)c1cccc(OC(=O)N2CCN(C(=O)[C@@H](CCCCNS(C)(=O)=O)NC3CCC4(CC3)CCN(Cc3ccccc3)C4)[C@H](C(=O)NCc3cccs3)C2)c1
|
C42H59N7O7S2 838.110000 |
IUHZOGMZOJBFPS-PHYQGNOOSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476419; PubChem:CID146257356
|
Local ready
Direct docking supported
|
|
E3L020311
BDB020311
|
US10875851, Example 76
COc1cc(CNC(=O)[C@@H]2CN(C(=O)Oc3cccc(CN)c3)CCN2C(=O)[C@@H](CCCCNS(C)(=O)=O)NC2CCC3(CC2)CCN(Cc2ccccc2)C3)ccc1CN
|
C45H64N8O7S 861.123000 |
WXVGWHVYROKIRC-SHRGAXDBSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476420; PubChem:CID146263662
|
Local ready
Direct docking supported
|
|
E3L020312
BDB020312
|
US10875851, Example 77
O=C(NCc1cccs1)[C@@H]1CN(C(=O)Oc2ccccc2Cl)CCN1C(=O)[C@@H](CCCCN1CCCS1(=O)=O)NC1CCCCC1
|
C32H44ClN5O6S2 694.320000 |
ODFNHJHVFFTZSL-IZLXSDGUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476421; PubChem:CID146263713
|
Local ready
Direct docking supported
|
|
E3L020313
BDB020313
|
BDBM476422
CN(C)CCCC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)N1CCN(C(=O)Oc2ccccc2Cl)C[C@H]1C(=O)NCc1cccs1
|
C41H55ClN6O4S 763.449000 |
LYZOUUZHYAWKLD-QTLAVVGKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476422; PubChem:CID146257609
|
Local ready
Direct docking supported
|
|
E3L020314
BDB020314
|
US10875851, Example 79
CN(C)CCCC[C@H](C(=O)N1CCN(C(=O)Oc2ccccc2Cl)C[C@H]1C(=O)NCc1cccs1)N(C)C1CCC2(CC1)CNC(Cc1ccccc1)C2
|
C42H57ClN6O4S 777.476000 |
NBAWICVVJHXIQY-BYPMLUJGSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476423; PubChem:CID146263792
|
Local ready
Direct docking supported
|
|
E3L020315
BDB020315
|
US10875851, Example 80
CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)N1CCN(C(=O)Oc2ccc(CN)c3ccccc23)C[C@H]1C(=O)NCc1cccs1
|
C45H59N7O6S2 858.144000 |
ZIEWMOMSBMLBMV-PKLOSATMSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476424; PubChem:CID146263679
|
Local ready
Direct docking supported
|
|
E3L020316
BDB020316
|
US10875851, Example 81
CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)N1CCN(C(=O)Oc2cccc3c2CCNC3)C[C@H]1C(=O)NCc1cccs1
|
C43H59N7O6S2 834.122000 |
XOPBEXNWCHLVKL-RSGXDSATSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476425; PubChem:CID146257565
|
Local ready
Direct docking supported
|
|
E3L020317
BDB020317
|
US10875851, Example 82
CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)N1CCN(C(=O)Oc2cccc(CN)c2Cl)C[C@H]1C(=O)NCc1cccs1
|
C41H56ClN7O6S2 842.529000 |
RGPDRUOQGADNGH-IPAXYELNSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476426; PubChem:CID146263795
|
Local ready
Direct docking supported
|
|
E3L020318
BDB020318
|
US10875851, Example 83
COc1cc(CNC(=O)[C@@H]2CN(C(=O)Oc3ccc4ccccc4c3Cl)CCN2C(=O)[C@H](N)CCCCNS(C)(=O)=O)ccc1CN
|
C32H41ClN6O7S 689.235000 |
ZEIKWJRGTXJYRU-FTJBHMTQSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476427; PubChem:CID146263823
|
Local ready
Direct docking supported
|
|
E3L020319
BDB020319
|
US10875851, Example 84
COc1cc(CNC(=O)[C@@H]2CN(C(=O)Oc3ccc4ccccc4c3Cl)CCN2C(=O)[C@@H](CCCCNS(C)(=O)=O)NC2CCC(CN)CC2)ccc1CN
|
C39H54ClN7O7S 800.423000 |
SCSNDWGLJNHPAC-OFZFGVMSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476428; PubChem:CID146257622
|
Local ready
Direct docking supported
|
|
E3L020320
BDB020320
|
US10875851, Example 85
COc1cc(CNC(=O)[C@@H]2CN(C(=O)Oc3ccccc3Cl)CCN2C(=O)[C@@H](CCCCNS(C)(=O)=O)NC2CCC3(CC2)CCN(Cc2ccccc2)C3)ccc1CN
|
C44H60ClN7O7S 866.526000 |
VNENSVJXIXSOCA-VRMJWWLNSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476429; PubChem:CID146263769
|
Local ready
Direct docking supported
|