| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062741
BDB062741
|
BDBM50605577
O=c1[nH]cc(CSc2ccc(C(F)F)cc2)[nH]c1=O
|
C12H10F2N2O2S 284.287000 |
DLHGRKAZQBZUNQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50605577; PubChem:CID166951520
|
Local ready
Direct docking supported
|
|
E3L062742
BDB062742
|
Ac(1)-Tyr-Ile-Arg-Leu-Tyr-Asp-Tyr-His-Asn-Cys(1)-NH2
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C64H87N17O17S 1398.569000 |
IQSWUJAPVWADPZ-NMUOTRIQSA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605666; PubChem:CID168278309
|
Local ready
Direct docking supported
|
|
E3L062743
BDB062743
|
BDBM50605667
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
|
C87H121N23O22S2 1905.198000 |
DFCAXDPZUGKTHK-XMKKDGKYSA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605667; PubChem:CID168280328
|
Local ready
Direct docking supported
|
|
E3L062744
BDB062744
|
BDBM50605668
CC(C)C[C@@H]1NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C76H113N21O19S 1656.935000 |
WQPPCADSQXXOLW-FVPVMZIUSA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605668; PubChem:CID168286840
|
Local ready
Direct docking supported
|
|
E3L062745
BDB062745
|
Ac(1)-Tyr-Ile-Arg-Leu-Tyr-Asp-Tyr-His-Ala-Cys(1)-NH2
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C63H86N16O16S 1355.544000 |
SSLCRKKXKYDFFQ-QMSTXTSYSA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605669; PubChem:CID168296357
|
Local ready
Direct docking supported
|
|
E3L062746
BDB062746
|
Ac(1)-Tyr-Ile-Arg-Leu-Tyr-Asp-Tyr-Ala-Asn-Cys(1)-NH2
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C61H85N15O17S 1332.506000 |
YMHBKYYWYOQEBS-OTQNVIFNSA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605670; PubChem:CID168275552
|
Local ready
Direct docking supported
|
|
E3L062747
BDB062747
|
Ac(1)-Tyr-Ile-Arg-Leu-Tyr-Asp-Ala-His-Asn-Cys(1)-NH2
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C58H83N17O16S 1306.472000 |
MCQVERDNXJSOIW-XKQQUFFVSA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605671; PubChem:CID168278368
|
Local ready
Direct docking supported
|
|
E3L062748
BDB062748
|
Ac(1)-Tyr-Ile-Arg-Leu-Tyr-Ala-Tyr-His-Asn-Cys(1)-NH2
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C63H87N17O15S 1354.560000 |
RVXDPCCYLFLZKI-QMSTXTSYSA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605672; PubChem:CID168288556
|
Local ready
Direct docking supported
|
|
E3L062749
BDB062749
|
Ac(1)-Tyr-Ile-Arg-Ala-Tyr-Asp-Tyr-His-Asn-Cys(1)-NH2
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C61H81N17O17S 1356.488000 |
AOKZGIWNLXXYAS-QXKHRJMCSA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605673; PubChem:CID168281527
|
Local ready
Direct docking supported
|
|
E3L062750
BDB062750
|
Ac(1)-Tyr-Ile-Ala-Leu-Tyr-Asp-Tyr-His-Asn-Cys(1)-NH2
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O
|
C61H80N14O17S 1313.459000 |
HWYQNAAXLWWNEB-LHOCDYTQSA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605674; PubChem:CID168278684
|
Local ready
Direct docking supported
|
|
E3L062751
BDB062751
|
Ac(1)-Tyr-Ala-Arg-Leu-Tyr-Asp-Tyr-His-Asn-Cys(1)-NH2
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
|
C61H81N17O17S 1356.488000 |
HDRWUGSVNGLUPO-ODOXFWGRSA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605675; PubChem:CID168292562
|
Local ready
Direct docking supported
|
|
E3L062752
BDB062752
|
Ac(1)-Ala-Ile-Arg-Leu-Tyr-Asp-Tyr-His-Asn-Cys(1)-NH2
CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C58H83N17O16S 1306.472000 |
NLLBXUKDCMWZEI-XKQQUFFVSA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605676; PubChem:CID168273581
|
Local ready
Direct docking supported
|
|
E3L062753
BDB062753
|
Ac(1)-Tyr-Ile-Arg-Leu-Tyr-Ala-Tyr-Ala-Ala-Cys(1)-NH2
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C59H84N14O14S 1245.472000 |
NETVOMGKDFNPFI-CUWLWMPESA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605677; PubChem:CID168276936
|
Local ready
Direct docking supported
|
|
E3L062754
BDB062754
|
Ac(1)-Tyr-Ile-Arg-Leu-Tyr-Asp-Tyr-Gly-Gly-Cys(1)-NH2
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C58H80N14O16S 1261.427000 |
OFJJVBRFSMTJFZ-XEBLDHIMSA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605678; PubChem:CID168289554
|
Local ready
Direct docking supported
|
|
E3L062755
BDB062755
|
Ac(1)-Tyr-Ile-Arg-Leu-Tyr-Asp-Tyr-Gly-Cys(1)-NH2
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C56H77N13O15S 1204.375000 |
BXSSTCWKLUTVAH-RIXNVFHZSA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605679; PubChem:CID168274066
|
Local ready
Direct docking supported
|
|
E3L062756
BDB062756
|
Ac(1)-Tyr-Ile-Arg-Leu-Tyr-Asp-Tyr-Cys(1)-NH2
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
|
C54H74N12O14S 1147.323000 |
XASJTHJCJUPOBO-DKFLDVSASA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605680; PubChem:CID168274459
|
Local ready
Direct docking supported
|
|
E3L062757
BDB062757
|
Ac-Tyr-Ile-Arg-Leu-Tyr-Asp-Tyr-His-Asn-Cys-NH2
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(N)=O
|
C64H89N17O17S 1400.585000 |
YBLHPMLWJTWBCB-JOQAVDMPSA-N | P43358 | Melanoma-associated antigen 4 |
BindingDB, PubChem
BindingDB:BDBM50605681; PubChem:CID168295248
|
Local ready
Direct docking supported
|
|
E3L062758
BDB062758
|
BDBM50605858
CCOc1cc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)cc2)ccc1N(CC(=O)O)S(=O)(=O)c1ccc(OC)cc1
|
C26H28N2O11S2 608.647000 |
AFTBEIXKYKKIPM-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50605858; PubChem:CID168293394
|
Local ready
Direct docking supported
|
|
E3L062759
BDB062759
|
BDBM50605859
CCCCOc1cc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)cc2)ccc1N(CC(=O)O)S(=O)(=O)c1ccc(OC)cc1
|
C28H32N2O11S2 636.701000 |
RMCYZZKHIJUFSB-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50605859; PubChem:CID168297230
|
Local ready
Direct docking supported
|
|
E3L062760
BDB062760
|
BDBM50605860
CCCOc1cc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)cc2)ccc1N(CC(=O)O)S(=O)(=O)c1ccc(OC)cc1
|
C27H30N2O11S2 622.674000 |
ONYUZXFTGVVTRN-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50605860; PubChem:CID168272990
|
Local ready
Direct docking supported
|