| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020341
BDB020341
|
US10875851, Example 106
CC[C@@H](NC1CCCCC1)C(=O)N1CCN(C(=O)Oc2ccc(C)c(C)c2Cl)C[C@H]1C(=O)NCc1ccc(CN)c(OC)c1
|
C33H46ClN5O5 628.214000 |
UCMDOAFSHLDCES-SXOMAYOGSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476450; PubChem:CID146263716
|
Local ready
Direct docking supported
|
|
E3L020342
BDB020342
|
US10875851, Example 107
CC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)N1CCN(C(=O)Oc2ccc(C)c(C)c2Cl)C[C@H]1C(=O)NCc1ccc(CN)c(OC)c1
|
C43H57ClN6O5 773.419000 |
ILRYUBRXPHPWHS-LABSLUORSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476451; PubChem:CID146263715
|
Local ready
Direct docking supported
|
|
E3L020343
BDB020343
|
US10875851, Example 108
Cc1ccc(OC(=O)N2CCN(C(=O)[C@@H](CCCCN(C)C)NC3CCC4(CC3)CCN(Cc3ccccc3)C4)[C@H](C(=O)NCc3cccs3)C2)c(Cl)c1C
|
C43H59ClN6O4S 791.503000 |
KFWNBKMGONOSOO-UFIVNUEWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476452; PubChem:CID146257430
|
Local ready
Direct docking supported
|
|
E3L020344
BDB020344
|
US10875851, Example 109
Cc1ccc(OC(=O)N2CCN(C(=O)[C@@H](CCCCN3CCCC3)NC3CCC4(CC3)CCN(Cc3ccccc3)C4)[C@H](C(=O)NCc3cccs3)C2)c(Cl)c1C
|
C45H61ClN6O4S 817.541000 |
UBNGSILVZFWZDS-HXRMPTFNSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476453; PubChem:CID146263855
|
Local ready
Direct docking supported
|
|
E3L020345
BDB020345
|
US10875851, Example 110
Cc1ccc(OC(=O)N2CCN(C(=O)[C@@H](CCCCN3CCCC3C)NC3CCC4(CC3)CCN(Cc3ccccc3)C4)[C@H](C(=O)NCc3cccs3)C2)c(Cl)c1C
|
C46H63ClN6O4S 831.568000 |
JJMMHLSLGAYCNO-IZLAINBBSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476454; PubChem:CID146263686
|
Local ready
Direct docking supported
|
|
E3L020346
BDB020346
|
US10875851, Example 111
Cc1ccc(OC(=O)N2CCN(C(=O)[C@H](N)CCCCN3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)c(Cl)c1C
|
C30H42ClN5O4S 604.217000 |
FVRKZMOQGRNDJX-RPBOFIJWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476455; PubChem:CID146263687
|
Local ready
Direct docking supported
|
|
E3L020347
BDB020347
|
US10875851, Example 113
CS(=O)(=O)NCCCC[C@@H](NC1CCCC1)C(=O)N1CCN(C(=O)Oc2ccc3ccccc3c2Cl)C[C@H]1C(=O)NCc1cccs1
|
C33H42ClN5O6S2 704.315000 |
VHXRJQSFZWKUKL-IZLXSDGUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476457; PubChem:CID146263770
|
Local ready
Direct docking supported
|
|
E3L020348
BDB020348
|
US10875851, Example 114
C[C@H]1N=C(N2CCN(C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1
|
C35H49N5O3S 619.876000 |
CTYNKFLWABFRHE-BESSAKRQSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476458; PubChem:CID146257435
|
Local ready
Direct docking supported
|
|
E3L020349
BDB020349
|
US10875851, Example 115
CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C2=N[C@@H](C)[C@H](c3ccccc3)O2)C[C@H]1C(=O)NCc1cccs1
|
C34H50N6O3S 622.880000 |
YIPMFJWNVCSJGT-KNXMMVSXSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476459; PubChem:CID146257416
|
Local ready
Direct docking supported
|
|
E3L020350
BDB020350
|
US10875851, Example 116
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCNS(C)(=O)=O)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1cccc(C#N)c1
|
C34H47N7O5S2 697.928000 |
RATQLHPSFNYSJX-QIXIFPRPSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476460; PubChem:CID146257321
|
Local ready
Direct docking supported
|
|
E3L020351
BDB020351
|
US10875851, Example 117
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCNS(C)(=O)=O)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1cccc(CN)c1
|
C34H51N7O5S2 701.960000 |
RWQNNHOHNQBUAC-QIXIFPRPSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476461; PubChem:CID146257344
|
Local ready
Direct docking supported
|
|
E3L020352
BDB020352
|
US10875851, Example 118
COc1cc(CNC(=O)[C@@H]2CN(C3=N[C@@H](C)[C@H](c4ccccc4)O3)CCN2C(=O)[C@@H](CCCCN2CCCCC2)NC(C)C)ccc1CN
|
C38H57N7O4 675.919000 |
PFQPCWZQDIERCN-ZEDQJVKGSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476462; PubChem:CID146257390
|
Local ready
Direct docking supported
|
|
E3L020353
BDB020353
|
BDBM476463
C[C@@H]1N=C(N2CCN(C(=O)[C@H](NC3CCC(C(N)=O)CC3)[C@H]3CC[C@H](N4CCCCC4)CC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1
|
C40H57N7O4S 732.008000 |
XICKBXKBCNSYBR-HYICRAEPSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM476463
|
Local ready
Direct docking supported
|
|
E3L020354
BDB020354
|
BDBM476464
CC(C)N[C@@H](C(=O)N1CCN(C2=N[C@@H](C)[C@H](c3ccccc3)O2)C[C@H]1C(=O)NCc1cccs1)[C@H]1CC[C@H](NC(C)C)CC1
|
C34H50N6O3S 622.880000 |
HGBCWGOUPAKLBU-QTGCLLNNSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM476464
|
Local ready
Direct docking supported
|
|
E3L020355
BDB020355
|
US10875851, Example 121
CC(C)N[C@H](CC1CCN(C(C)C)CC1)C(=O)N1CCN(C2=N[C@@H](C)[C@H](c3ccccc3)O2)C[C@H]1C(=O)NCc1cccs1
|
C34H50N6O3S 622.880000 |
QABSCUFOMVVDOJ-IQAPJIGKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476465; PubChem:CID134523664
|
Local ready
Direct docking supported
|
|
E3L020356
BDB020356
|
US10875851, Example 122
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-UDKDNODWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476466; PubChem:CID146257602
|
Local ready
Direct docking supported
|
|
E3L020357
BDB020357
|
US10875851, Example 123
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-NDMKBUGQSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476467; PubChem:CID146257569
|
Local ready
Direct docking supported
|
|
E3L020358
BDB020358
|
US10875851, Example 124
C[C@@H]1N=C(N2CCN(C(=O)C(CCCCNS(C)(=O)=O)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1cccc(Br)c1
|
C33H47BrN6O5S2 751.814000 |
VOVWEKDAYXXXSI-CNXRBOTJSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476468; PubChem:CID156023196
|
Local ready
Direct docking supported
|
|
E3L020359
BDB020359
|
US10875851, Example 125
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCNS(C)(=O)=O)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1cccc(Cl)c1
|
C33H47ClN6O5S2 707.363000 |
IACVLZMRYPNLFG-VQCLQPKNSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476469; PubChem:CID146257604
|
Local ready
Direct docking supported
|
|
E3L020360
BDB020360
|
US10875851, Example 126
CS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C2=NCC3(CCCCC3)O2)C[C@H]1C(=O)NCc1cccs1
|
C31H50N6O5S2 650.912000 |
CRSFQWAILFSKPV-SXOMAYOGSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476470; PubChem:CID146257495
|
Local ready
Direct docking supported
|