| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058981
BDB058981
|
BDBM50520060
Cc1ccc(C[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N3)cc1
|
C70H96N18O22S2 1605.776000 |
FVFSUZHBTIUSFU-YERRWYKUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50520060; PubChem:CID155531124
|
Local ready
Direct docking supported
|
|
E3L058982
BDB058982
|
BDBM50520061
N=C(N)NCCC[C@@H]1NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N2
|
C69H93N19O24S2 1636.746000 |
MBGPBHRYFCMIPN-XIQIEEFNSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50520061; PubChem:CID155557259
|
Local ready
Direct docking supported
|
|
E3L058983
BDB058983
|
BDBM50520120
Cc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)ccc1Cl
|
C29H28ClFN4O 503.021000 |
HNKHSIKLIGVXPW-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520120; PubChem:CID153572631
|
Local ready
Direct docking supported
|
|
E3L058984
BDB058984
|
Wdr5-IN-4
Cc1nc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
|
C25H22Cl2FN5O 498.389000 |
ZPVQIJIWGMKMQN-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520121; PubChem:CID138319680
|
Local ready
Direct docking supported
|
|
E3L058985
BDB058985
|
BDBM50520122
Cc1cc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(C(=O)NCc2cccc(OC(F)(F)F)c2)c1
|
C27H24F4N4O2 512.507000 |
XAYYLIMJMPHLEU-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520122; PubChem:CID155544527
|
Local ready
Direct docking supported
|
|
E3L058986
BDB058986
|
BDBM50520123
Cc1cc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(C(=O)NCc2ccccc2)c1
|
C26H25FN4O 428.511000 |
QKCLNALYVLGWBJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520123; PubChem:CID155560512
|
Local ready
Direct docking supported
|
|
E3L058987
BDB058987
|
BDBM50520124
Cc1cccc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3ccc(F)cc3C)c2)c1
|
C27H27FN4O 442.538000 |
MWCGNILUFFTCKB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520124; PubChem:CID155562726
|
Local ready
Direct docking supported
|
|
E3L058988
BDB058988
|
BDBM50520125
Cc1cc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(C(=O)NCc2cccc(Cl)c2)c1
|
C26H24ClFN4O 462.956000 |
TVZUKBJFTYWVNB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520125; PubChem:CID155564728
|
Local ready
Direct docking supported
|
|
E3L058989
BDB058989
|
BDBM50520126
Cc1cc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
|
C26H23Cl2FN4O 497.401000 |
PLTUYQPTAZNZMJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520126; PubChem:CID155554755
|
Local ready
Direct docking supported
|
|
E3L058990
BDB058990
|
BDBM50520127
Cc1cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3ccc(F)cc3C)c2)ccc1F
|
C27H26F2N4O 460.528000 |
LEOZOVLOEOWBAL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520127; PubChem:CID146456497
|
Local ready
Direct docking supported
|
|
E3L058991
BDB058991
|
BDBM50520128
Cc1cc(C)cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3ccc(F)cc3C)c2)c1
|
C28H29FN4O 456.565000 |
GOOQUIWHDCJDCE-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520128; PubChem:CID155556853
|
Local ready
Direct docking supported
|
|
E3L058992
BDB058992
|
BDBM50520129
Cc1cc(F)ccc1-c1cc(Cn2ccn(C)c2=N)cc(C(=O)NCc2cc(Cl)cc(Cl)c2)c1
|
C26H23Cl2FN4O 497.401000 |
MMZHNVVOIBRRPP-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520129; PubChem:CID155569468
|
Local ready
Direct docking supported
|
|
E3L058993
BDB058993
|
BDBM50520130
COc1cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3ccc(F)cc3C)c2)cc(OC)c1
|
C28H29FN4O3 488.563000 |
PSABMKXBOJUOBD-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520130; PubChem:CID145946119
|
Local ready
Direct docking supported
|
|
E3L058994
BDB058994
|
Wdr5-IN-1
COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
|
C30H31FN4O3 514.601000 |
PKONCIPMLLIAIL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520131; PubChem:CID146014479
|
Local ready
Direct docking supported
|
|
E3L058995
BDB058995
|
BDBM50520132
COc1cc(CN2CCc3c(cc(Cn4ccn(C5CC5)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
|
C32H33FN4O3 540.639000 |
BJMSIHKKVXBQDK-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520132; PubChem:CID153572603
|
Local ready
Direct docking supported
|
|
E3L058996
BDB058996
|
BDBM50520133
COc1cc(CN2CCc3c(cc(CN4CCSC4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
|
C29H30FN3O3S 519.642000 |
HDYJKMSOEDNXNO-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520133; PubChem:CID153572528
|
Local ready
Direct docking supported
|
|
E3L058997
BDB058997
|
BDBM50520134
COc1cc(CN2CCc3c(cc(CN4CCCC4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
|
C30H32FN3O3 501.602000 |
OOPRWCNRGGKSBQ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520134; PubChem:CID153572445
|
Local ready
Direct docking supported
|
|
E3L058998
BDB058998
|
BDBM50520135
COc1cc(CN2CCc3c(cc(Cn4cnn(C)c4=N)cc3-c3ccc(F)cc3C)C2=O)cc(OC)c1
|
C29H30FN5O3 515.589000 |
DPAOKXUQYUWDHZ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520135; PubChem:CID153572410
|
Local ready
Direct docking supported
|
|
E3L058999
BDB058999
|
BDBM50520136
COc1cccc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3ccc(F)cc3C)c2)c1
|
C27H27FN4O2 458.537000 |
SEUVFFLCJSGGCV-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520136; PubChem:CID155512057
|
Local ready
Direct docking supported
|
|
E3L059000
BDB059000
|
BDBM50520137
COc1cc(CNC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3ccc(F)cc3C)c2)ccc1F
|
C27H26F2N4O2 476.527000 |
HJWNICYTTDSUAA-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50520137; PubChem:CID155513664
|
Local ready
Direct docking supported
|