| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020381
BDB020381
|
US10875851, Example 150
CN(C)CCCC[C@H](C(=O)N1CCN(C2=NC(C)(C)C(c3ccccc3)O2)C[C@H]1C(=O)NCc1cc(CN)cs1)N(C)C
|
C32H49N7O3S 611.857000 |
WOAXNMFFEYICTJ-ANUFDVCNSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476494; PubChem:CID146257554
|
Local ready
Direct docking supported
|
|
E3L020382
BDB020382
|
US10875851, Example 152
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCNS(C)(=O)=O)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@@H]1c1ccccc1
|
C33H48N6O5S2 672.918000 |
RMSRFWDFAHAENX-XPSCAIQQSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476496; PubChem:CID146257619
|
Local ready
Direct docking supported
|
|
E3L020383
BDB020383
|
US10875851, Example 153
COc1cc(CNC(=O)[C@@H]2CN(C3=NC(C)(C)[C@H](c4ccccc4)O3)CCN2C(=O)[C@@H](CCCCN(C)C)N(C)C)ccc1CN
|
C35H53N7O4 635.854000 |
IFPLTJKCLHXPQH-HZFRXHCASA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476497; PubChem:CID146257563
|
Local ready
Direct docking supported
|
|
E3L020384
BDB020384
|
US10875851, Example 154
COc1cc(CNC(=O)[C@@H]2CN(C3=NC(C)(C)[C@H](c4ccccc4)O3)CCN2C(=O)[C@@H](CCCCN(C)C)N(C)C)ccc1C(N)=O
|
C35H51N7O5 649.837000 |
HKAFUESXBNGGDS-UNRZKBSHSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476498; PubChem:CID146257545
|
Local ready
Direct docking supported
|
|
E3L020385
BDB020385
|
US10875851, Example 155
CN(C)CCCC[C@H](C(=O)N1CCN(C2=NC(C)(C)C(c3ccccc3)O2)C[C@H]1C(=O)NCc1ccc(C(N)=O)cc1)N(C)C
|
C34H49N7O4 619.811000 |
PDPOKPHRLHZAEA-PEIRWHMSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476499; PubChem:CID146257432
|
Local ready
Direct docking supported
|
|
E3L020386
BDB020386
|
US10875851, Example 156
CC1(C)N=C(N2CCN(C(=O)[C@H](N)CCCCN3CCCCC3)[C@H](C(=O)NCc3cccc(Cl)c3)C2)OC1c1ccccc1
|
C34H47ClN6O3 623.242000 |
CALSYGMYGLXIHX-RAVAVGQKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476500; PubChem:CID146257533
|
Local ready
Direct docking supported
|
|
E3L020387
BDB020387
|
US10875851, Example 157
CC1(C)N=C(N2CCN(C(=O)[C@H](N)CCCCN3CCCCC3)[C@H](C(=O)NCc3cc(Cl)ccc3-n3cnnn3)C2)OC1c1ccccc1
|
C35H47ClN10O3 691.281000 |
ORGYHXJSMFZHQZ-IBBQOIMNSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476501; PubChem:CID146257491
|
Local ready
Direct docking supported
|
|
E3L020388
BDB020388
|
US10875851, Example 158
CC1(C)N=C(N2CCN(C(=O)[C@H](N)CCCCN3CCCCC3)[C@H](C(=O)NCc3cc4cnccc4s3)C2)OC1c1ccccc1
|
C35H47N7O3S 645.874000 |
QGIGWAAZOLUCDL-TUPFJZFKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476502; PubChem:CID146257410
|
Local ready
Direct docking supported
|
|
E3L020389
BDB020389
|
US10875851, Example 159
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C2=NC(C)(C)C(c3ccccc3)O2)C[C@H]1C(=O)NCc1cc2cnccc2s1
|
C38H53N7O3S 687.955000 |
VGTHTSFVLVBHFO-FYQPVZKXSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476503; PubChem:CID146257505
|
Local ready
Direct docking supported
|
|
E3L020390
BDB020390
|
US10875851, Example 160
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C2=NC(C)(C)C(c3ccccc3)O2)C[C@H]1C(=O)NCc1cccc(Cl)c1
|
C37H53ClN6O3 665.323000 |
HLKRFJKTXMNNJU-WTAZONCXSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476504; PubChem:CID146257309
|
Local ready
Direct docking supported
|
|
E3L020391
BDB020391
|
US10875851, Example 161
C[C@@H]1N=C(N2CCN(C(=O)[C@H](N)CCCCN3CCCCC3)[C@H](C(=O)NCc3cccc(Cl)c3)C2)O[C@H]1c1ccccc1
|
C33H45ClN6O3 609.215000 |
AXLHLBPBESHGQZ-NDMKBUGQSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476505; PubChem:CID146257466
|
Local ready
Direct docking supported
|
|
E3L020392
BDB020392
|
US10875851, Example 162
C[C@@H]1N=C(N2CCN(C(=O)[C@H](N)CCCCN3CCCCC3)[C@H](C(=O)NCc3ccc4[nH]cc(Cl)c4c3)C2)O[C@H]1c1ccccc1
|
C35H46ClN7O3 648.252000 |
BYPXMAWVWLYTNK-PWPDXBDLSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476506; PubChem:CID146257402
|
Local ready
Direct docking supported
|
|
E3L020393
BDB020393
|
US10875851, Example 163
C[C@@H]1N=C(N2CCN(C(=O)[C@H](N)CCCCN3CCCCC3)[C@H](C(=O)NCc3cc4cnccc4s3)C2)O[C@H]1c1ccccc1
|
C34H45N7O3S 631.847000 |
LSBYZXOOCPWNQL-IZJJXFGPSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476507; PubChem:CID146257318
|
Local ready
Direct docking supported
|
|
E3L020394
BDB020394
|
US10875851, Example 164
C[C@@H]1N=C(N2CCN(C(=O)[C@H](N)CCCCN3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1
|
C31H44N6O3S 580.799000 |
CCAUOIFBIYOTNI-NXKWUFEUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476508; PubChem:CID134522416
|
Local ready
Direct docking supported
|
|
E3L020395
BDB020395
|
US10875851, Example 165
COc1cc(CNC(=O)[C@@H]2CN(C3=N[C@@H](C)[C@H](c4ccccc4)O3)CCN2C(=O)[C@@H](CCCCN2CCCCC2)NC2CCC(CN)CC2)ccc1C(N)=O
|
C42H62N8O5 759.009000 |
QSWXOAXBNXCNPG-GNLUFGTRSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476509; PubChem:CID146257387
|
Local ready
Direct docking supported
|
|
E3L020396
BDB020396
|
US10875851, Example 166
CC(C)NCCCC[C@@H](NC(C)C)C(=O)N1CCN(C2=N[C@@H](C)[C@H](c3ccccc3)O2)C[C@H]1C(=O)NCc1cccc(Cl)c1
|
C34H49ClN6O3 625.258000 |
MGCGQEXVRSPLLS-IQAPJIGKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476510; PubChem:CID146257550
|
Local ready
Direct docking supported
|
|
E3L020397
BDB020397
|
US10875851, Example 167
C[C@@H]1N=C(N2CCN(C(=O)[C@H](N)CCCCN3CCCCC3)[C@H](C(=O)NCc3cccc(Cl)c3)C2)O[C@H]1c1cccc(Br)c1
|
C33H44BrClN6O3 688.111000 |
ZQAMNKMYTWWUJJ-VQCLQPKNSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476511; PubChem:CID146257616
|
Local ready
Direct docking supported
|
|
E3L020398
BDB020398
|
US10875851, Example 168
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C2=N[C@@H](C)[C@H](c3cccc(Br)c3)O2)C[C@H]1C(=O)NCc1cccc(Cl)c1
|
C36H50BrClN6O3 730.192000 |
NVAOKSCZZPSUDX-NEVPTIFISA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476512; PubChem:CID146257453
|
Local ready
Direct docking supported
|
|
E3L020399
BDB020399
|
US10875851, Example 169
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C2=NC(C)[C@H](c3cccc(C#N)c3)O2)C[C@H]1C(=O)NCc1cccs1
|
C35H49N7O3S 647.890000 |
OHVVSLPDQINFJE-IECJBTIBSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476513; PubChem:CID146263860
|
Local ready
Direct docking supported
|
|
E3L020400
BDB020400
|
US10875851, Example 170
CCC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C2=N[C@@H](C)[C@H](c3ccccc3)O2)C[C@H]1C(=O)NCc1cccc(Cl)c1
|
C37H53ClN6O3 665.323000 |
IVBJOTSSTWRPGC-RBFXMOMQSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476514; PubChem:CID146263684
|
Local ready
Direct docking supported
|