| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020361
BDB020361
|
US10875851, Example 127
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCNS(C)(=O)=O)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1C#N
|
C34H47N7O5S2 697.928000 |
UBEIAGOISNYVQV-QIXIFPRPSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476471; PubChem:CID146257625
|
Local ready
Direct docking supported
|
|
E3L020362
BDB020362
|
US10875851, Example 128
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCNS(C)(=O)=O)NC3CCC4(CC3)CCN(Cc3ccccc3)C4)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1
|
C43H59N7O5S2 818.123000 |
DOWFRFOWSMVKLV-FVSSFISOSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476472; PubChem:CID146257724
|
Local ready
Direct docking supported
|
|
E3L020363
BDB020363
|
US10875851, Example 129
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCN)NC3CCC4(CC3)CCN(Cc3ccccc3)C4)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1
|
C42H57N7O3S 740.031000 |
RDMBQDKRBSXIJH-BSQPXIMKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476473; PubChem:CID146257319
|
Local ready
Direct docking supported
|
|
E3L020364
BDB020364
|
US10875851, Example 130
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCN(C)C)N(C)C3CCC4(CC3)CCN(Cc3ccccc3)C4)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1
|
C45H63N7O3S 782.112000 |
DAUXTYXLWJPADT-FCMREHKESA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476474; PubChem:CID146257580
|
Local ready
Direct docking supported
|
|
E3L020365
BDB020365
|
US10875851, Example 132
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCNS(C)(=O)=O)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccc(C#N)cc1
|
C34H47N7O5S2 697.928000 |
ABCHEZNYPFCFNO-QIXIFPRPSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476476; PubChem:CID146263691
|
Local ready
Direct docking supported
|
|
E3L020366
BDB020366
|
US10875851, Example 133
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCN(C)C)NC3CCC(CN)CC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1
|
C35H53N7O3S 651.922000 |
BJRDXVMPTYHKHN-PYIKRYMESA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476477; PubChem:CID146257408
|
Local ready
Direct docking supported
|
|
E3L020367
BDB020367
|
US10875851, Example 134
Cc1cccc([C@@H]2OC(N3CCN(C(=O)[C@@H](CCCCNS(C)(=O)=O)NC4CCCCC4)[C@H](C(=O)NCc4cccs4)C3)=N[C@H]2C)c1
|
C34H50N6O5S2 686.945000 |
NARKSXVJTMZWAN-IQAPJIGKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476478; PubChem:CID146257512
|
Local ready
Direct docking supported
|
|
E3L020368
BDB020368
|
BDBM476479
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCN(C)C)NC3CCC4(CC3)CCN(Cc3ccccc3)C4)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1
|
C44H61N7O3S 768.085000 |
YLAUIUPHFHFBRG-UAKCHKLZSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM476479
|
Local ready
Direct docking supported
|
|
E3L020369
BDB020369
|
US10875851, Example 136
C[C@@H]1N=C(N2CCN(C(=O)[C@H](CCCCN(C)C)NC3CCC4(CC3)CCN(Cc3ccccc3)C4)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1
|
C44H61N7O3S 768.085000 |
YLAUIUPHFHFBRG-BRPXIKLFSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476480; PubChem:CID146263808
|
Local ready
Direct docking supported
|
|
E3L020370
BDB020370
|
US10875851, Example 137
CC1(C)N=C(N2CCN(C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)OC1c1ccccc1
|
C36H51N5O3S 633.903000 |
UTABTEKQFBFYOL-ZYWOQNTESA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476481; PubChem:CID146257409
|
Local ready
Direct docking supported
|
|
E3L020371
BDB020371
|
US10875851, Example 138
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCN(C)C)NC3CCCCC3)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1cccc(C#N)c1
|
C35H49N7O3S 647.890000 |
FKXSEWPZWBQOMC-QGWJVEIISA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476482; PubChem:CID146263793
|
Local ready
Direct docking supported
|
|
E3L020372
BDB020372
|
US10875851, Example 139
CN(C)CCCC[C@H](C(=O)N1CCN(C2=NC(C)(C)C(c3ccccc3)O2)C[C@H]1C(=O)NCc1cccc(Cl)c1)N(C)C
|
C33H47ClN6O3 611.231000 |
HVJRYKZVMBNLCP-PEIRWHMSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476483; PubChem:CID146257429
|
Local ready
Direct docking supported
|
|
E3L020373
BDB020373
|
US10875851, Example 141
CN(C)CCCC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)N1CCN(C2=NC(C)(C)CO2)C[C@H]1C(=O)NCc1cccs1
|
C39H59N7O3S 706.014000 |
LKCOGCAGIMSLQK-SCVMGEOMSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476485; PubChem:CID146257524
|
Local ready
Direct docking supported
|
|
E3L020374
BDB020374
|
BDBM476486
C[C@@H]1N=C(N2CCN(C(=O)[C@@H](CCCCN(C)C)NC3CCC4(CC3)CCN(Cc3ccccc3)C4)[C@H](C(=O)NCc3cccs3)C2)O[C@H]1c1ccccc1
|
C44H61N7O3S 768.085000 |
YLAUIUPHFHFBRG-UAKCHKLZSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM476486
|
Local ready
Direct docking supported
|
|
E3L020375
BDB020375
|
US10875851, Example 143
C[C@H]1N=C(N2CCN(C(=O)[C@@H](CCCCN(C)C)NC3CCC4(CC3)CCN(Cc3ccccc3)C4)[C@H](C(=O)NCc3cccs3)C2)O[C@@H]1c1ccccc1
|
C44H61N7O3S 768.085000 |
YLAUIUPHFHFBRG-XVWJBTFLSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476487; PubChem:CID146263778
|
Local ready
Direct docking supported
|
|
E3L020376
BDB020376
|
US10875851, Example 144
CN(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C2=NC(C)(C)CO2)C[C@H]1C(=O)NCc1cccs1
|
C29H48N6O3S 560.809000 |
RXGNOERIKPEPIB-RPBOFIJWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476488; PubChem:CID146257338
|
Local ready
Direct docking supported
|
|
E3L020377
BDB020377
|
US10875851, Example 145
CN(C)CCCC[C@H](C(=O)N1CCN(C2=NC(C)(C)C(c3ccccc3)O2)C[C@H]1C(=O)NCc1ccc2[nH]cc(Cl)c2c1)N(C)C
|
C35H48ClN7O3 650.268000 |
JUXWSYYCPWVGQG-AWZUCMKVSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476489; PubChem:CID146257632
|
Local ready
Direct docking supported
|
|
E3L020378
BDB020378
|
US10875851, Example 147
CN(C)CCCC[C@H](C(=O)N1CCN(C2=NC(C)(C)C(c3ccccc3)O2)C[C@H]1C(=O)NCc1cc2cnccc2s1)N(C)C
|
C34H47N7O3S 633.863000 |
UKNOTOYGBXTHEK-FBMPGHKGSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476491; PubChem:CID146257428
|
Local ready
Direct docking supported
|
|
E3L020379
BDB020379
|
US10875851, Example 148
CN(C)CCCC[C@H](C(=O)N1CCN(C2=NC(C)(C)C(c3ccccc3)O2)C[C@H]1C(=O)NCc1ccc(CN)c(F)c1)N(C)C
|
C34H50FN7O3 623.818000 |
TXDRHMCURVRATL-RAVAVGQKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476492; PubChem:CID146257548
|
Local ready
Direct docking supported
|
|
E3L020380
BDB020380
|
US10875851, Example 149
CN(C)CCCC[C@H](C(=O)N1CCN(C2=NC(C)(C)C(c3ccccc3)O2)C[C@H]1C(=O)NCc1ccc(CN)c(Cl)c1)N(C)C
|
C34H50ClN7O3 640.273000 |
OOIRYBAMVSNMMR-RAVAVGQKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM476493; PubChem:CID146257583
|
Local ready
Direct docking supported
|