| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043561
BDB043561
|
BDBM50008814
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc(C(F)(F)C(=O)O)s2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1
|
C33H35Cl2F3N2O5S2 731.686000 |
YMBUZVVHJGRMEZ-AJRUUFPASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50008814
|
Local ready
Direct docking supported
|
|
E3L043562
BDB043562
|
BDBM50008815
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc(CC(=O)O)o2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1
|
C33H37Cl2FN2O6S 679.638000 |
DXESSOIHKFKNRW-CWIPYCOQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50008815
|
Local ready
Direct docking supported
|
|
E3L043563
BDB043563
|
BDBM50008816
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2nnc(CC(=O)O)[nH]2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C32H38Cl2N4O5S 661.652000 |
SWESMVFNRHMZQJ-KKRKAPGZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50008816
|
Local ready
Direct docking supported
|
|
E3L043564
BDB043564
|
BDBM50008817
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc(CC(=O)O)[nH]2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C33H39Cl2N3O5S 660.664000 |
MKYSYCAAQKPTKT-HEBVPBOISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50008817
|
Local ready
Direct docking supported
|
|
E3L043565
BDB043565
|
BDBM50008818
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ccc(C(=O)O)cn2)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C33H36Cl2N2O6S 659.632000 |
OTQRFDJHHZHHNT-OZLMZZSTSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50008818
|
Local ready
Direct docking supported
|
|
E3L043566
BDB043566
|
BDBM50008819
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@](C)(Cc2ccc(C(=O)O)cn2)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C33H36Cl2N2O6S 659.632000 |
OTQRFDJHHZHHNT-LNHQPZRBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50008819
|
Local ready
Direct docking supported
|
|
E3L043567
BDB043567
|
BDBM50008820
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@](C)(Cc2ccc(C(=O)O)cn2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C34H38Cl2N2O5S 657.660000 |
PNBIDSMJDDJULQ-XWJIURCXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50008820
|
Local ready
Direct docking supported
|
|
E3L043568
BDB043568
|
BDBM50008821
CC[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@H](CC(=O)O)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C26H31Cl2NO6S 556.508000 |
UQONPZNBMIQADI-NEUULRRLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50008821; PubChem:CID73386679
|
Local ready
Direct docking supported
|
|
E3L043569
BDB043569
|
Camptothecin
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
|
C20H16N2O4 348.358000 |
VSJKWCGYPAHWDS-FQEVSTJZSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM50008923; PubChem:CID24360
|
Local ready
Direct docking supported
|
|
E3L043570
BDB043570
|
Zafirlukast
COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12
|
C31H33N3O6S 575.687000 |
YEEZWCHGZNKEEK-UHFFFAOYSA-N | P37231, Q14145 | Kelch-like ECH-associated protein 1, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50009073; PubChem:CID5717
|
Local ready
Direct docking supported
|
|
E3L043571
BDB043571
|
Ac-Phe-Ala-Leu-Lys(Me3)-Ser-NH2
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O
|
C32H54N7O7+ 648.826000 |
PWTPHMJTGGEKCZ-SJSXQSQASA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB, PubChem
BindingDB:BDBM50009454; PubChem:CID90655573
|
Local ready
Direct docking supported
|
|
E3L043572
BDB043572
|
BDBM50009555
COC(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NC(CO)CO)C2CCCC2)cc1
|
C40H59N6O9+ 767.945000 |
RVSBUVWESBGOMR-OPPLUPLLSA-O | O00257 | E3 SUMO-protein ligase CBX4 |
BindingDB
BindingDB:BDBM50009555
|
Local ready
Direct docking supported
|
|
E3L043573
BDB043573
|
BDBM50009619
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCCC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
|
C32H48N4O7 600.757000 |
DYNAXOPFOQSIRV-HQQJGFCBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009619; PubChem:CID15689671
|
Local ready
Direct docking supported
|
|
E3L043574
BDB043574
|
BDBM50009620
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
|
C31H46N4O8 602.729000 |
OGYDAEJIGCMSTF-JAYJDBRPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009620; PubChem:CID15689668
|
Local ready
Direct docking supported
|
|
E3L043575
BDB043575
|
BDBM50009621
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCC[C@H](O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
|
C32H50N4O7 602.773000 |
IXGDPPFLARWURZ-LFGITCQGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009621; PubChem:CID15689673
|
Local ready
Direct docking supported
|
|
E3L043576
BDB043576
|
BDBM50009622
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)CCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
|
C31H46N4O8 602.729000 |
KEHJFSADHYLALA-JAYJDBRPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009622; PubChem:CID15689669
|
Local ready
Direct docking supported
|
|
E3L043577
BDB043577
|
BDBM50009623
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCCC2(OCCO2)[C@H](O)[C@H](CC2CCCCC2)NC1=O
|
C34H52N4O8 644.810000 |
WZKOVMBSHSOODL-PFWSVGDOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009623; PubChem:CID15689672
|
Local ready
Direct docking supported
|
|
E3L043578
BDB043578
|
BDBM50009624
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
|
C32H50N4O7 602.773000 |
IXGDPPFLARWURZ-YYDZWWTMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009624; PubChem:CID15689674
|
Local ready
Direct docking supported
|
|
E3L043579
BDB043579
|
Adenosylhomocysteine
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
|
C14H20N6O5S 384.418000 |
ZJUKTBDSGOFHSH-WFMPWKQPSA-N | O96028, Q03164, Q9BQA1 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase 2A, Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50009672; PubChem:CID439155
|
Local ready
Direct docking supported
|
|
E3L043580
BDB043580
|
L-158809
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
|
C24H23N7 409.497000 |
YFWXFHNZGKNDBC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50009718; PubChem:CID183134
|
Local ready
Direct docking supported
|