| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048041
BDB048041
|
BDBM50194252
COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C(C)=O)C1CC2CCC1C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1
|
C46H65N7O10 876.065000 |
STNKZTAUFWFKBE-YCIFDCPOSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50194252
|
Local ready
Direct docking supported
|
|
E3L048042
BDB048042
|
BDBM50194253
[C]OC(=O)[C@H]([C][O])[N]C(=O)[C@H]([C][C][C][C][N]C(N([C])[C])=[N+]([C])[C])[N]C(=O)[C@H]([C][C]([C])[C])[N]C(=O)[C@H]([C])[N]C(=O)[C@H]([C]c1ccccc1)[N]C(=O)[C][N]C(=O)c1ccccc1
|
C42H15N9O9+ 789.636000 |
DNOLUTCZBMOMFQ-KMACTHOASA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50194253
|
Local ready
Direct docking supported
|
|
E3L048043
BDB048043
|
BDBM50194254
COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CN2CCC1CC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1
|
C44H64N8O9 849.043000 |
DFYGXOYGRGSTSI-JQVWEZKJSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50194254
|
Local ready
Direct docking supported
|
|
E3L048044
BDB048044
|
Bz-Phe-Ala-Leu-Lys(Et2)-Ser-OMe
CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](CO)C(=O)OC
|
C39H58N6O8 738.927000 |
HYDGXWBSEOPRIN-FRJISQSVSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194255; PubChem:CID134149263
|
Local ready
Direct docking supported
|
|
E3L048045
BDB048045
|
Bz(3-Me)-Phe-Ala-Leu-Lys(Et2)-Ser-OMe
CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C)c1)C(=O)N[C@@H](CO)C(=O)OC
|
C40H60N6O8 752.954000 |
LBRBNTUYIBYDIR-KMACTHOASA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194256; PubChem:CID134146658
|
Local ready
Direct docking supported
|
|
E3L048046
BDB048046
|
Bz(4-Me)-Phe-Ala-Leu-Lys(Et2)-Ser-OMe
CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](CO)C(=O)OC
|
C40H60N6O8 752.954000 |
VCAQDGBJOWAITH-KMACTHOASA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194257; PubChem:CID134141602
|
Local ready
Direct docking supported
|
|
E3L048047
BDB048047
|
BDBM50194258
CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)C)cc1)C(=O)N[C@@H](CO)C(=O)OC
|
C42H64N6O8 781.008000 |
ROYGCJFTRGCLIU-JCXBGQGISA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50194258
|
Local ready
Direct docking supported
|
|
E3L048048
BDB048048
|
Unc3866
CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CO)C(=O)OC
|
C43H66N6O8 795.035000 |
UMRRDXVUROEIKJ-JCXBGQGISA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194259; PubChem:CID101043861
|
Local ready
Direct docking supported
|
|
E3L048049
BDB048049
|
Bz(4-CF3)-Phe-Ala-Leu-Lys(Et2)-Ser-OMe
CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CO)C(=O)OC
|
C40H57F3N6O8 806.924000 |
YKZYTGMDKIVZKB-NKZKHMIMSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194260; PubChem:CID134153154
|
Local ready
Direct docking supported
|
|
E3L048050
BDB048050
|
deamino-Phg(4-tBu)-Phe-Ala-Leu-Lys(Et2)-Ser-OMe
CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CO)C(=O)OC
|
C44H68N6O8 809.062000 |
WQWSPBKHYFCYOG-OKCLBPDBSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194261; PubChem:CID134154083
|
Local ready
Direct docking supported
|
|
E3L048051
BDB048051
|
deamino-nTrp-Phe-Ala-Leu-Lys(Et2)-Ser-OMe
CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)OC
|
C42H61N7O8 791.991000 |
WHANHEKCAHJBNW-KCAPAQDDSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194262; PubChem:CID134148174
|
Local ready
Direct docking supported
|
|
E3L048052
BDB048052
|
Bz-Gly-Phe-Ala-Leu-Lys(Me3)-Ser-OMe
COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1
|
C40H60N7O9+ 782.960000 |
UKJWSRUUPHPDEX-FRJISQSVSA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194263; PubChem:CID134153698
|
Local ready
Direct docking supported
|
|
E3L048053
BDB048053
|
Bz-Gly-Phe-N(Me)Ala-Leu-Lys(Me3)-Ser-OMe
COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1
|
C41H62N7O9+ 796.987000 |
SEXSTVHQRKRUNM-KMACTHOASA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194356; PubChem:CID134145156
|
Local ready
Direct docking supported
|
|
E3L048054
BDB048054
|
Bz-Gly-N(Me)Phe-Ala-Leu-Lys(Me3)-Ser-OMe
COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)c1ccccc1
|
C41H62N7O9+ 796.987000 |
INFJDHQAVTWBET-KMACTHOASA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194386; PubChem:CID134151685
|
Local ready
Direct docking supported
|
|
E3L048055
BDB048055
|
Bz-Sar-Phe-Ala-Leu-Lys(Me3)-Ser-OMe
COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C)C(=O)c1ccccc1
|
C41H62N7O9+ 796.987000 |
ZWZLJLNERXZIRR-KMACTHOASA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194387; PubChem:CID134156240
|
Local ready
Direct docking supported
|
|
E3L048056
BDB048056
|
Bz-Gly-Phe-Ala-Leu-Lys(iPr)-Ser-OMe
COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1
|
C40H59N7O9 781.952000 |
GRGNHDGOUCOENS-FRJISQSVSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194388; PubChem:CID134152824
|
Local ready
Direct docking supported
|
|
E3L048057
BDB048057
|
Bz-Gly-Phe-Ala-Leu-Lys(cHex)-Ser-OMe
COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1
|
C43H63N7O9 822.017000 |
UJGOCBZRZNGGDO-JCXBGQGISA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194426; PubChem:CID134134706
|
Local ready
Direct docking supported
|
|
E3L048058
BDB048058
|
BDBM50194427
COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC2CCC1C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1
|
C44H63N7O9 834.028000 |
KIVRLNZVHYCJSN-CEIAAXPSSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50194427
|
Local ready
Direct docking supported
|
|
E3L048059
BDB048059
|
Bz-Gly-Phe-Ala-Leu-Lys(Me2)-Ser-OMe
COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1
|
C39H57N7O9 767.925000 |
PJWSTQJTRDBBIU-LJEIBCANSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50194431; PubChem:CID134144237
|
Local ready
Direct docking supported
|
|
E3L048060
BDB048060
|
BDBM50194447
CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)C(=O)OC
|
C44H62N6O8 803.014000 |
OUNRVROJVYUGOT-WULLJDQYSA-N | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50194447
|
Local ready
Direct docking supported
|