| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L020881
BDB020881
|
BDBM498901
CN(C)CCCC[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H](C(=O)NCc2cccs2)C1)N(C)C1CCCCC1
|
C33H48ClN5O3S 630.299000 |
GHRXFMWFISZVRU-FRXPANAUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498901; PubChem:CID154623831
|
Local ready
Direct docking supported
|
|
E3L020882
BDB020882
|
BDBM498902
CN(C)CCCC[C@H](C(=O)N1CC[C@@H](NC(=O)c2cc(F)c(F)cc2F)[C@@H](C(=O)NCc2cccs2)C1)N(C)C1CCCCC1
|
C33H46F3N5O3S 649.824000 |
HNBXDMUUHAMVQP-AWJLRTIGSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498902; PubChem:CID154623832
|
Local ready
Direct docking supported
|
|
E3L020883
BDB020883
|
BDBM498903
NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC2)CC3)[C@@H](C(=O)NCc2cccs2)C1
|
C31H50N6O3S 586.847000 |
ZCKMEKYKOHTVDW-OYUWMTPXSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498903; PubChem:CID134524393
|
Local ready
Direct docking supported
|
|
E3L020884
BDB020884
|
BDBM498904
NCc1ccc(CNC(=O)[C@H]2CN(C(=O)[C@@H](CC3CC3)NC3CCCCC3)CC[C@H]2NC(=O)N2CCC3(CC2)CC3)cc1
|
C34H52N6O3 592.829000 |
JBOFOKYBEJQHDU-FRXPANAUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498904; PubChem:CID154623826
|
Local ready
Direct docking supported
|
|
E3L020885
BDB020885
|
BDBM498905
NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC2)CC3)[C@@H](C(=O)NCc2ccccc2)C1
|
C33H52N6O3 580.818000 |
VLFDUVVWTPIZNF-ZGIBFIJWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498905; PubChem:CID154623851
|
Local ready
Direct docking supported
|
|
E3L020886
BDB020886
|
BDBM498906
NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC2)CC3)[C@@H](C(=O)NCc2ccc(CN)cc2)C1
|
C34H55N7O3 609.860000 |
VGKPQLMMXCSUQB-FRXPANAUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498906; PubChem:CID154623825
|
Local ready
Direct docking supported
|
|
E3L020887
BDB020887
|
BDBM498907
Cc1csc(CNC(=O)[C@H]2CN(C(=O)[C@@H](CCCCN)NC3CCCCC3)CC[C@H]2NC(=O)N2CCC3(CC2)CC3)c1
|
C32H52N6O3S 600.874000 |
ZKOVXVYVYTWPFS-UPRLRBBYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498907; PubChem:CID154623828
|
Local ready
Direct docking supported
|
|
E3L020888
BDB020888
|
BDBM498908
O=C(NCc1cccs1)[C@H]1CN(C(=O)C(CC2CCNCC2)NC2CCCCC2)CC[C@H]1NC(=O)N1CCC2(CC1)CC2
|
C33H52N6O3S 612.885000 |
JWJVRUOXORSRHO-POZJPKTBSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498908; PubChem:CID154623853
|
Local ready
Direct docking supported
|
|
E3L020889
BDB020889
|
BDBM498909
O=C(NCc1cccs1)[C@H]1CN(C(=O)[C@@H](CCCCN2CCCS2(=O)=O)NC2CCCCC2)CC[C@H]1NC(=O)N1CCC2(CC1)CC2
|
C34H54N6O5S2 690.977000 |
FYJJZXQUGYVBMR-FRXPANAUSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM498909
|
Local ready
Direct docking supported
|
|
E3L020890
BDB020890
|
BDBM498910
CS(=O)(=O)NCCCC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC2)CC3)[C@@H](C(=O)NCc2cccs2)C1
|
C42H63N7O5S2 810.144000 |
DDIKLPJOHIRBAY-LIBHBZCFSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM498910
|
Local ready
Direct docking supported
|
|
E3L020891
BDB020891
|
BDBM498911
O=C(NCc1cccs1)[C@H]1CN(C(=O)[C@@H](CCCCNS(=O)(=O)C2CC2)NC2CCCCC2)CC[C@H]1NC(=O)N1CCC2(CC1)CC2
|
C34H54N6O5S2 690.977000 |
FBFAHYVTXGECNC-FRXPANAUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498911; PubChem:CID155064952
|
Local ready
Direct docking supported
|
|
E3L020892
BDB020892
|
BDBM498912
O=C(NCc1cccs1)[C@H]1CN(C(=O)[C@@H](CC2CCNCC2)NC2CCCCC2)CC[C@H]1NC(=O)N1CCC2(CC1)CC2
|
C33H52N6O3S 612.885000 |
JWJVRUOXORSRHO-ZGIBFIJWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498912; PubChem:CID154623835
|
Local ready
Direct docking supported
|
|
E3L020893
BDB020893
|
BDBM498913
CCS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC2)CC3)[C@@H](C(=O)NCc2cccs2)C1
|
C33H54N6O5S2 678.966000 |
XMMZGUSLLPSURC-ZGIBFIJWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498913; PubChem:CID155065006
|
Local ready
Direct docking supported
|
|
E3L020894
BDB020894
|
BDBM498914
O=C(NCc1cccs1)[C@H]1CN(C(=O)[C@@H](CCCCNCC(F)(F)F)NC2CCCCC2)CC[C@H]1NC(=O)N1CCC2(CC1)CC2
|
C33H51F3N6O3S 668.871000 |
IXEABJVJDSJTEA-UPRLRBBYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498914; PubChem:CID155064972
|
Local ready
Direct docking supported
|
|
E3L020895
BDB020895
|
BDBM498915
CS(=O)(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC2)CC3)[C@@H](C(=O)NCc2cccs2)C1
|
C32H52N6O5S2 664.939000 |
UJRJULZVAFGLRZ-UPRLRBBYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498915; PubChem:CID155064996
|
Local ready
Direct docking supported
|
|
E3L020896
BDB020896
|
BDBM498916
CC(=O)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC2)CC3)[C@@H](C(=O)NCc2cccs2)C1
|
C33H52N6O4S 628.884000 |
TZZKNOHEAZAJNG-ZGIBFIJWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498916; PubChem:CID155059094
|
Local ready
Direct docking supported
|
|
E3L020897
BDB020897
|
BDBM498917
C[N+](C)(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC2)CC3)[C@@H](C(=O)NCc2ccccc2)C1
|
C36H59N6O3+ 623.907000 |
NSNVDMYULRJRPK-DCMFLLSESA-O | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498917; PubChem:CID154623834
|
Local ready
Direct docking supported
|
|
E3L020898
BDB020898
|
BDBM498918
CC(=O)OCCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCC3(CC2)CC3)[C@@H](C(=O)NCc2cccs2)C1
|
C33H51N5O5S 629.868000 |
JSBBHFZJVAUMTR-ZGIBFIJWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498918; PubChem:CID154623845
|
Local ready
Direct docking supported
|
|
E3L020899
BDB020899
|
BDBM498919
CN(C)CCCC[C@H](C(=O)N1CC[C@@H](NC(=O)N2CCCc3ccccc32)[C@@H](C(=O)NCc2cccs2)C1)N(C)C1CCCCC1
|
C36H54N6O3S 650.934000 |
RBGGCLKRMPIDMY-RKKDRKJOSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498919; PubChem:CID154623821
|
Local ready
Direct docking supported
|
|
E3L020900
BDB020900
|
BDBM498920
CN(C)CCCC[C@@H](NC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)N2CCCc3ccccc32)[C@@H](C(=O)NCc2cccs2)C1
|
C35H52N6O3S 636.907000 |
PITDSKUPZOPKOD-OJDZSJEKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM498920; PubChem:CID154623848
|
Local ready
Direct docking supported
|