| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063501
BDB063501
|
BDBM50619158
O=C(c1cc(Cc2n[nH]c(=O)c3cc(O)ccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1
|
C24H23FN4O4 450.470000 |
TXSTXVIMEGPQLD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50619158; PubChem:CID172470974
|
Local ready
Direct docking supported
|
|
E3L063502
BDB063502
|
BDBM50619159
Cn1c(COc2ccc3c(Cc4ccc(F)c(C(=O)N5CCN(C(=O)C6CC6)CC5)c4)n[nH]c(=O)c3c2)cnc1[N+](=O)[O-]
|
C29H28FN7O6 589.584000 |
BICAJCDASZYQAQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50619159; PubChem:CID172466537
|
Local ready
Direct docking supported
|
|
E3L063503
BDB063503
|
BDBM50619160
Cn1c([N+](=O)[O-])cnc1COc1ccc2c(Cc3ccc(F)c(C(=O)N4CCN(C(=O)C5CC5)CC4)c3)n[nH]c(=O)c2c1
|
C29H28FN7O6 589.584000 |
GZMCBHQCVSWYPI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50619160; PubChem:CID172466515
|
Local ready
Direct docking supported
|
|
E3L063504
BDB063504
|
BDBM50619214
Cc1cc(Nc2cc(N3CCN(N)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1
|
C22H27N9OS 465.587000 |
WNQHVGYFQUHRNW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50619214; PubChem:CID172452976
|
Local ready
Direct docking supported
|
|
E3L063505
BDB063505
|
H-Cys-Ala-Asp-Thr-Asn-Trp-Leu-Val-Cys-OH
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)C(C)C
|
C43H65N11O14S2 1024.190000 |
XMQGQQKVXNXJGV-QBYIZTRCSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50619319; PubChem:CID172469633
|
Local ready
Direct docking supported
|
|
E3L063506
BDB063506
|
H-D-Cys-Pro-Asn-Gln-Trp-Lys-Ser-Tyr-Cys-OH
NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O
|
C49H69N13O14S2 1128.302000 |
FPTXXNDEEQKCCT-UHGYHLOUSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50619320; PubChem:CID172439408
|
Local ready
Direct docking supported
|
|
E3L063507
BDB063507
|
H-Cys-Ser-Gln-Ala-Trp-Trp-Tyr-Gln-Cys-OH
C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)O
|
C53H67N13O14S2 1174.330000 |
KKQCPHPNRCSZHS-DXTHKOOBSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50619321; PubChem:CID172444358
|
Local ready
Direct docking supported
|
|
E3L063508
BDB063508
|
H-Cys-Phe-Leu-Asn-Val-Ser-Asn-Ala-Cys-OH
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)O)C(C)C
|
C40H63N11O13S2 970.142000 |
VQMJAXSLFJIPAT-MURBELKFSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50619322; PubChem:CID172471539
|
Local ready
Direct docking supported
|
|
E3L063509
BDB063509
|
H-Cys-Gly-Ser-Leu-Asp-Trp-Pro-His-Cys-OH
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)O
|
C43H60N12O13S2 1017.158000 |
XSVYHGUITLPVEA-XSTSSERXSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50619323; PubChem:CID172458903
|
Local ready
Direct docking supported
|
|
E3L063510
BDB063510
|
H-Cys-Asn-Ser-Leu-Asn-Trp-Phe-Trp-Cys-OH
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)O
|
C54H69N13O13S2 1172.358000 |
ZKOYDBJZZCCWCY-WXGDXGANSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50619324; PubChem:CID172462727
|
Local ready
Direct docking supported
|
|
E3L063511
BDB063511
|
H-Cys-Gly-Glu-Gly-Glu-Ala-Asp-Val-Cys-OH
CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)O
|
C32H51N9O16S2 881.941000 |
PFQHBUJIAIYXPD-WDVQKFPESA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50619325; PubChem:CID172440283
|
Local ready
Direct docking supported
|
|
E3L063512
BDB063512
|
BDBM50619326
CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CSCc2ccc(cc2)CSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O
|
C62H75N13O13S2 1274.494000 |
VULIIDBOQCEVCZ-ACPIDWHBSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50619326
|
Local ready
Direct docking supported
|
|
E3L063513
BDB063513
|
BDBM50619327
CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CSC/C=C\CSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O
|
C58H73N13O13S2 1224.434000 |
IEZRFWNDHMFKDL-DVLONYMRSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50619327
|
Local ready
Direct docking supported
|
|
E3L063514
BDB063514
|
BDBM50619328
CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CSCc2cccc(n2)CSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC1=O
|
C61H74N14O13S2 1275.482000 |
AEMVGSPCLOHJOG-GBPBLIGGSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50619328
|
Local ready
Direct docking supported
|
|
E3L063515
BDB063515
|
H-Ser-Glu-Glu-Glu-Ile-Asp-Val-Val-Ser-Val-OH
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C
|
C46H76N10O21 1105.163000 |
BQHGWSAVMQWHGI-RDAIJIBISA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50619329; PubChem:CID172453540
|
Local ready
Direct docking supported
|
|
E3L063516
BDB063516
|
Fragilide J
C=C1[C@H]2O[C@]3([C@@H](C)C(=O)O[C@H]3[C@H]1Cl)[C@@H](OC(C)=O)[C@H]1[C@]3(CC[C@H](OC(C)=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)CO3
|
C28H35ClO12 599.029000 |
VPXKDKFGKRSWEO-GKPKSCKFSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50619862; PubChem:CID21725801
|
Local ready
Direct docking supported
|
|
E3L063517
BDB063517
|
BDBM50619863
CCOCC1=C/[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@H]2[C@@]3(CO3)[C@H](OC(C)=O)C[C@H](OC(=O)CC(C)C)[C@]2(C)[C@@H](OC(C)=O)/C=C\1
|
C33H46O13 650.718000 |
FEFOIEYXNSNRRO-CXJLPKNDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50619863
|
Local ready
Direct docking supported
|
|
E3L063518
BDB063518
|
BDBM50619864
CCOCC1=C/[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@H]2[C@@]3(CO3)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)/C=C\1
|
C30H40O13 608.637000 |
IVRVGVQSPVDTML-DUHBHEDDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50619864
|
Local ready
Direct docking supported
|
|
E3L063519
BDB063519
|
BDBM50619865
CC(=O)O[C@H]1CC[C@](O)(CO)[C@@H]2[C@H](OC(C)=O)[C@@]3(O)[C@H](/C=C(CO)\C=C/[C@H](OC(=O)COC(=O)CC(C)C)[C@@]12C)OC(=O)[C@@H]3C
|
C31H44O14 640.679000 |
XIIMKNQQTVIXHJ-UHXPUNKWSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50619865
|
Local ready
Direct docking supported
|
|
E3L063520
BDB063520
|
BDBM50619866
CC(=O)O[C@H]1/C=C\C(CO)=C/[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@H]2[C@@](O)(CO)CC[C@H](OC(C)=O)[C@]12C
|
C26H36O12 540.562000 |
RFZWFXSYGODHJR-KJFVRJSISA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50619866
|
Local ready
Direct docking supported
|