| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008121
BDB008121
|
BDBM200199
CCOc1ccc(C[C@@H](NC(=O)c2ccccc2C)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
|
C35H39N5O4 593.728000 |
YBYIYRFQMSDYKZ-AJQTZOPKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200199; PubChem:CID71499500
|
Local ready
Direct docking supported
|
|
E3L008122
BDB008122
|
BDBM200200
CCOc1ccc(C[C@@H](NC(=O)c2[nH]c(C)cc2C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
|
C35H41N5O4 595.744000 |
WJCYGURKBSTJEJ-IOWSJCHKSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM200200
|
Local ready
Direct docking supported
|
|
E3L008123
BDB008123
|
BDBM200201
CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)c(C)c2)cc1
|
C35H39N5O4 593.728000 |
KFOYMQXIDOVWGR-AJQTZOPKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200201; PubChem:CID71499168
|
Local ready
Direct docking supported
|
|
E3L008124
BDB008124
|
BDBM200202
CCOc1ccc(C[C@@H](NC(=O)c2sccc2NC(C)=O)C(=O)N[C@@H](Cc2ccsc2)C(=O)NCc2ccc(CN)cc2)cc1
|
C33H37N5O5S2 647.823000 |
FQQAMJLKTANPGO-URLMMPGGSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM200202
|
Local ready
Direct docking supported
|
|
E3L008125
BDB008125
|
BDBM200203
CCOc1ccc(C[C@@H](NC(=O)c2sccc2N)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1
|
C35H37N5O4S2 655.846000 |
CYVSDXJVCZURLD-IHLOFXLRSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM200203
|
Local ready
Direct docking supported
|
|
E3L008126
BDB008126
|
BDBM200205
CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
|
C34H37ClN4O4S 633.214000 |
OQLWNLNQMCZSSV-IHLOFXLRSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM200205
|
Local ready
Direct docking supported
|
|
E3L008127
BDB008127
|
BDBM200206
CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@H](C(=O)NCc2ccc(CN)cc2)[C@H](O)c2ccccc2)cc1
|
C35H38N4O5 594.712000 |
BCBPQVFOASQXEY-YKILCQELSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200206; PubChem:CID71185740
|
Local ready
Direct docking supported
|
|
E3L008128
BDB008128
|
BDBM200207
CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N[C@H](C(=O)NCc2ccc(CN)cc2)[C@H](O)c2ccccc2)cc1
|
C33H35ClN4O5S 635.186000 |
JPIQGCNQXOHJHE-SSBOKUKZSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM200207
|
Local ready
Direct docking supported
|
|
E3L008129
BDB008129
|
BDBM200208
CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
|
C35H39N5O4 593.728000 |
QLQUHMZRFARDGM-AJQTZOPKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200208; PubChem:CID71204163
|
Local ready
Direct docking supported
|
|
E3L008130
BDB008130
|
BDBM200210
NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc(OCC(F)(F)F)cc2)NC(=O)c2ccccc2)cc1
|
C35H35F3N4O4 632.683000 |
ZFMHHRGGDRODQQ-FSRLHOSWSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM200210; PubChem:CID71186113
|
Local ready
Direct docking supported
|
|
E3L008131
BDB008131
|
BDBM200235
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)/C(=C/NN2CCN(C)CC2)C(=C4O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
|
C43H58N4O12 822.953000 |
FZYOVNIOYYPUPY-ZTWDQPHTSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB
BindingDB:BDBM200235
|
Local ready
Direct docking supported
|
|
E3L008132
BDB008132
|
Ac-Gly-Arg-Ala-NH2
CC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O
|
C13H25N7O4 343.388000 |
BHLVCWTYTXZPGO-CBAPKCEASA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM200641; PubChem:CID54767220
|
Local ready
Direct docking supported
|
|
E3L008133
BDB008133
|
Ac-Abu-Arg-Ala-NH2
CC[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O
|
C15H29N7O4 371.442000 |
IEGDMYALTXAMQA-LSJOCFKGSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM200642; PubChem:CID54767221
|
Local ready
Direct docking supported
|
|
E3L008134
BDB008134
|
Ac-Val-Arg-Ala-NH2
CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O)C(C)C
|
C16H31N7O4 385.469000 |
DZOKAHIXJAQRES-DLOVCJGASA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM200643; PubChem:CID54767222
|
Local ready
Direct docking supported
|
|
E3L008135
BDB008135
|
Ac-Cys-Arg-Ala-NH2
CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O
|
C14H27N7O4S 389.482000 |
OVVJPALHWQFAGL-HGNGGELXSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM200644; PubChem:CID54767223
|
Local ready
Direct docking supported
|
|
E3L008136
BDB008136
|
Ac-Leu-Arg-Ala-NH2
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O
|
C17H33N7O4 399.496000 |
CKROJUIYKBYBDV-DRZSPHRISA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM200645; PubChem:CID54767224
|
Local ready
Direct docking supported
|
|
E3L008137
BDB008137
|
Ac-Chg-Arg-Ala-NH2
CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O)C1CCCCC1
|
C19H35N7O4 425.534000 |
KHCYWWFFBAFJJK-CQDKDKBSSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM200646; PubChem:CID54767387
|
Local ready
Direct docking supported
|
|
E3L008138
BDB008138
|
Ac-His-Arg-Ala-NH2
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O
|
C17H29N9O4 423.478000 |
PDMJSANQUMISRI-XDTLVQLUSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM200647; PubChem:CID54767388
|
Local ready
Direct docking supported
|
|
E3L008139
BDB008139
|
Ac-Phe-Arg-Ala-NH2
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O
|
C20H31N7O4 433.513000 |
CZPHQNDUCHJWLZ-RCBQFDQVSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM200648; PubChem:CID54767389
|
Local ready
Direct docking supported
|
|
E3L008140
BDB008140
|
Ac-Ser-Arg-Ala-NH2
CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O
|
C14H27N7O5 373.414000 |
BSVZIBKNHOCVGU-HGNGGELXSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM200649; PubChem:CID54767393
|
Local ready
Direct docking supported
|