| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000581
BDB000581
|
Quinone
O=C1C=CC(=O)C=C1
|
C6H4O2 108.096000 |
AZQWKYJCGOJGHM-UHFFFAOYSA-N | P00748, Q00987 | Coagulation factor XII, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM22774; PubChem:CID4650
|
Local ready
Direct docking supported
|
|
E3L000582
BDB000582
|
3,5-Di-tert-butyl-1,2-benzoquinone
CC(C)(C)C1=CC(=O)C(=O)C(C(C)(C)C)=C1
|
C14H20O2 220.312000 |
NOUZOVBGCDDMSX-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22775; PubChem:CID76915
|
Local ready
Direct docking supported
|
|
E3L000583
BDB000583
|
o-Chloranil
O=C1C(=O)C(Cl)=C(Cl)C(Cl)=C1Cl
|
C6Cl4O2 245.876000 |
VRGCYEIGVVTZCC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22776; PubChem:CID73252
|
Local ready
Direct docking supported
|
|
E3L000584
BDB000584
|
5,6-Dimethylmorpholine-2,3-dione
CC1NC(=O)C(=O)OC1C
|
C6H9NO3 143.142000 |
RVXHYESVPAJQTO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22777; PubChem:CID3469206
|
Local ready
Direct docking supported
|
|
E3L000585
BDB000585
|
2,3-Dihydroxy-6,7-dichloroquinoxaline
O=c1[nH]c2cc(Cl)c(Cl)cc2[nH]c1=O
|
C8H4Cl2N2O2 231.038000 |
AVBSIKMUAFYZAV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22778; PubChem:CID1845
|
Local ready
Direct docking supported
|
|
E3L000586
BDB000586
|
Dibenzyl sulfone
O=S(=O)(Cc1ccccc1)Cc1ccccc1
|
C14H14O2S 246.331000 |
AWHNUHMUCGRKRA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22779; PubChem:CID69282
|
Local ready
Direct docking supported
|
|
E3L000587
BDB000587
|
Benzene, ((phenylmethyl)sulfonyl)-,
O=S(=O)(Cc1ccccc1)c1ccccc1
|
C13H12O2S 232.304000 |
FABCMLOTUSCWOR-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22780; PubChem:CID76561
|
Local ready
Direct docking supported
|
|
E3L000588
BDB000588
|
Benzyl sulfoxide
[O-][S+](Cc1ccccc1)Cc1ccccc1
|
C14H14OS 230.332000 |
HTMQZWFSTJVJEQ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22781; PubChem:CID12116
|
Local ready
Direct docking supported
|
|
E3L000589
BDB000589
|
Chloranil
O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl
|
C6Cl4O2 245.876000 |
UGNWTBMOAKPKBL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22782; PubChem:CID8371
|
Local ready
Direct docking supported
|
|
E3L000590
BDB000590
|
Indole-2,3-dione, 1-(hydroxymethyl)-
O=C1C(=O)N(CO)c2ccccc21
|
C9H7NO3 177.159000 |
MHGOPQDELUOKPE-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22783; PubChem:CID39834
|
Local ready
Direct docking supported
|
|
E3L000591
BDB000591
|
1-Chloro-2,3-indoledione
O=C1C(=O)N(Cl)c2ccccc21
|
C8H4ClNO2 181.578000 |
ZGPFGHSOYPBCGI-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22784; PubChem:CID137777
|
Local ready
Direct docking supported
|
|
E3L000592
BDB000592
|
1-(2-bromoethyl)-1H-indole-2,3-dione
O=C1C(=O)N(CCBr)c2ccccc21
|
C10H8BrNO2 254.083000 |
SJALPCXFOSGNST-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22785; PubChem:CID3542734
|
Local ready
Direct docking supported
|
|
E3L000593
BDB000593
|
1-(2-Iodo-ethyl)-1H-indole-2,3-dione
O=C1C(=O)N(CCI)c2ccccc21
|
C10H8INO2 301.083000 |
OBYVXAUONRVYHA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22786; PubChem:CID4135273
|
Local ready
Direct docking supported
|
|
E3L000594
BDB000594
|
Acetylisatin
CC(=O)N1C(=O)C(=O)c2ccccc21
|
C10H7NO3 189.170000 |
LPGDEHBASRKTDG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22787; PubChem:CID11321
|
Local ready
Direct docking supported
|
|
E3L000595
BDB000595
|
1-(chloroacetyl)-1H-indole-2,3-dione
O=C1C(=O)N(C(=O)CCl)c2ccccc21
|
C10H6ClNO3 223.615000 |
QIIJWWPCEHPDIJ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22788; PubChem:CID4350924
|
Local ready
Direct docking supported
|
|
E3L000596
BDB000596
|
1-Propionylisatin
CCC(=O)N1C(=O)C(=O)c2ccccc21
|
C11H9NO3 203.197000 |
IHNYAHBLLCMRCD-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22789; PubChem:CID589576
|
Local ready
Direct docking supported
|
|
E3L000597
BDB000597
|
1-butyryl-1H-indole-2,3-dione
CCCC(=O)N1C(=O)C(=O)c2ccccc21
|
C12H11NO3 217.224000 |
LYWOFWNKZLWLPZ-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22790; PubChem:CID3794313
|
Local ready
Direct docking supported
|
|
E3L000598
BDB000598
|
2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetic acid
O=C(O)CN1C(=O)C(=O)c2ccccc21
|
C10H7NO4 205.169000 |
KYAMYNWIAQNFEG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22791; PubChem:CID43402
|
Local ready
Direct docking supported
|
|
E3L000599
BDB000599
|
2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetamide
NC(=O)CN1C(=O)C(=O)c2ccccc21
|
C10H8N2O3 204.185000 |
PFDMWGKCXRICRV-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22792; PubChem:CID1906162
|
Local ready
Direct docking supported
|
|
E3L000600
BDB000600
|
1-Phenylisatin
O=C1C(=O)N(c2ccccc2)c2ccccc21
|
C14H9NO2 223.231000 |
UWCPWBIMRYXUOU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM22793; PubChem:CID12884
|
Local ready
Direct docking supported
|