| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020281
BDB020281
|
US10875851, Example 45
NCc1ccc(OC(=O)N2CCN(C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)c2ccccc12
|
C37H49N5O4S 659.897000 |
ZSJURTGOGBMBDI-SAIUNTKASA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476389; PubChem:CID146263765
|
Local ready
Direct docking supported
|
|
E3L020282
BDB020282
|
US10875851, Example 46
O=C(NCc1cccs1)[C@@H]1CN(C(=O)Oc2ccccc2Cl)CCN1C(=O)[C@H](NC1CCCCC1)C1CCN(Cc2ccccc2)CC1
|
C37H46ClN5O4S 692.326000 |
BMVCTVJUVXUVNX-UZNNEEJFSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476390; PubChem:CID146263781
|
Local ready
Direct docking supported
|
|
E3L020283
BDB020283
|
US10875851, Example 47
CN1CCC([C@H](C(=O)N2CCN(C(=O)Oc3ccccc3Cl)C[C@H]2C(=O)NCc2cccs2)N(C)C2CCCCC2)CC1
|
C32H44ClN5O4S 630.255000 |
OIGVUBFBXSWCRA-LMSSTIIKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476391; PubChem:CID146263766
|
Local ready
Direct docking supported
|
|
E3L020284
BDB020284
|
BDBM476392
NCCCC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)N1CCN(C(=O)Oc2ccccc2Cl)C[C@H]1C(=O)NCc1cccs1
|
C39H51ClN6O4S 735.395000 |
JGKDKJQMAPDFAN-NGSOWYGKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476392; PubChem:CID146257573
|
Local ready
Direct docking supported
|
|
E3L020285
BDB020285
|
US10875851, Example 50
NCc1ccc(CNC(=O)[C@@H]2CN(C(=O)Oc3ccccc3Cl)CCN2C(=O)[C@H](N)CC2CCCCC2)cc1Cl
|
C29H37Cl2N5O4 590.552000 |
DQAVWCRHHUDZSE-RPBOFIJWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476394; PubChem:CID146263783
|
Local ready
Direct docking supported
|
|
E3L020286
BDB020286
|
US10875851, Example 51
COc1cc(CNC(=O)[C@@H]2CN(C(=O)Oc3ccc4ccccc4c3Cl)CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCC(N)CC2)ccc1CN
|
C40H53ClN6O5 733.354000 |
MTFKTKMIUQLBOP-RHHULBOPSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476395; PubChem:CID146263649
|
Local ready
Direct docking supported
|
|
E3L020287
BDB020287
|
US10875851, Example 52
O=C(NCc1cccs1)[C@@H]1CN(C(=O)Oc2ccccc2Cl)CCN1C(=O)[C@H](NC1CCCCC1)C1CCN(CC(F)(F)F)CC1
|
C32H41ClF3N5O4S 684.225000 |
BOYFTCTXJJZBFV-XTEPFMGCSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476396; PubChem:CID146263674
|
Local ready
Direct docking supported
|
|
E3L020288
BDB020288
|
US10875851, Example 53
CS(=O)(=O)N1CCC(C[C@@H](NC2CCCCC2)C(=O)N2CCN(C(=O)Oc3ccccc3Cl)C[C@H]2C(=O)NCc2cccs2)CC1
|
C32H44ClN5O6S2 694.320000 |
YHMWESPPLQHLNK-IZLXSDGUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476397; PubChem:CID146263784
|
Local ready
Direct docking supported
|
|
E3L020289
BDB020289
|
US10875851, Example 54
CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)N1CCN(C(=O)Oc2ccccc2Cl)C[C@H]1C(=O)NCc1cccs1
|
C40H53ClN6O6S2 813.487000 |
CRVLXPITCZRCQS-GEMFNABFSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476398; PubChem:CID146257330
|
Local ready
Direct docking supported
|
|
E3L020290
BDB020290
|
US10875851, Example 55
NCc1cccc(OC(=O)N2CCN(C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)c1Cl
|
C33H46ClN5O4S 644.282000 |
QBZTWBQTTVYZTD-IZLXSDGUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476399; PubChem:CID146263650
|
Local ready
Direct docking supported
|
|
E3L020291
BDB020291
|
US10875851, Example 56
N#Cc1cccc(OC(=O)N2CCN(C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)c1Cl
|
C33H42ClN5O4S 640.250000 |
AIHHKNBKBNIEAC-IZLXSDGUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476400; PubChem:CID146263697
|
Local ready
Direct docking supported
|
|
E3L020292
BDB020292
|
US10875851, Example 57
NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C(=O)Oc2ccc3ccccc3c2Cl)C[C@H]1C(=O)NCc1cccs1
|
C33H42ClN5O4S 640.250000 |
WGDRYWYVGDPKGI-IZLXSDGUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476401; PubChem:CID146257300
|
Local ready
Direct docking supported
|
|
E3L020293
BDB020293
|
US10875851, Example 58
NCCCC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)N1CCN(C(=O)Oc2ccc3ccccc3c2Cl)C[C@H]1C(=O)NCc1cccs1
|
C43H53ClN6O4S 785.455000 |
KHIWWPFSIJVVQL-QTUSZSIFSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476402; PubChem:CID146263839
|
Local ready
Direct docking supported
|
|
E3L020294
BDB020294
|
US10875851, Example 59
NCc1ccc(OC(=O)N2CCN(C(=O)[C@@H](CC3CCCCC3)NC3CCC4(CC3)CCN(Cc3ccccc3)C4)[C@H](C(=O)NCc3cccs3)C2)c2ccccc12
|
C47H60N6O4S 805.102000 |
JQUIAODRUQJWEM-YWDPPZBZSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476403; PubChem:CID146263676
|
Local ready
Direct docking supported
|
|
E3L020295
BDB020295
|
US10875851, Example 60
CC(C)CS(=O)(=O)N1CCC([C@@H](NC2CCCCC2)C(=O)N2CCN(C(=O)Oc3ccccc3Cl)C[C@H]2C(=O)NCc2cccs2)CC1
|
C34H48ClN5O6S2 722.374000 |
QAGPMJBCOFEWJR-IGYGKHONSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476404; PubChem:CID146263699
|
Local ready
Direct docking supported
|
|
E3L020296
BDB020296
|
US10875851, Example 61
CCS(=O)(=O)N1CCC([C@@H](NC2CCCCC2)C(=O)N2CCN(C(=O)Oc3ccccc3Cl)C[C@H]2C(=O)NCc2cccs2)CC1
|
C32H44ClN5O6S2 694.320000 |
GYPKYWQYSAUACW-LMSSTIIKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476405; PubChem:CID146263677
|
Local ready
Direct docking supported
|
|
E3L020297
BDB020297
|
US10875851, Example 62
O=C(NCc1cccs1)[C@@H]1CN(C(=O)Oc2ccccc2Cl)CCN1C(=O)[C@H](NC1CCCCC1)C1CCN(S(=O)(=O)C2CC2)CC1
|
C33H44ClN5O6S2 706.331000 |
GTWKVGBRXLOOLE-MFMCTBQISA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476406; PubChem:CID146263654
|
Local ready
Direct docking supported
|
|
E3L020298
BDB020298
|
US10875851, Example 63
CC(C)S(=O)(=O)N1CCC([C@@H](NC2CCCCC2)C(=O)N2CCN(C(=O)Oc3ccccc3Cl)C[C@H]2C(=O)NCc2cccs2)CC1
|
C33H46ClN5O6S2 708.347000 |
LZOYLRKOQZVNNA-MFMCTBQISA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476407; PubChem:CID146263702
|
Local ready
Direct docking supported
|
|
E3L020299
BDB020299
|
US10875851, Example 64
O=C(NCc1cccs1)[C@@H]1CN(C(=O)Oc2ccccc2Cl)CCN1C(=O)[C@H](NC1CCCCC1)C1CCN(S(=O)(=O)c2cn[nH]c2)CC1
|
C33H42ClN7O6S2 732.329000 |
QCSYYRIREALFHR-MFMCTBQISA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476408; PubChem:CID146263768
|
Local ready
Direct docking supported
|
|
E3L020300
BDB020300
|
US10875851, Example 65
Cn1cnc(S(=O)(=O)N2CCC([C@@H](NC3CCCCC3)C(=O)N3CCN(C(=O)Oc4ccccc4Cl)C[C@H]3C(=O)NCc3cccs3)CC2)c1
|
C34H44ClN7O6S2 746.356000 |
KTVKRZVEENWUMS-QCENPCRXSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476409; PubChem:CID146263653
|
Local ready
Direct docking supported
|