| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044541
BDB044541
|
BDBM50025927
CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H54F2N8O7 796.917000 |
YJEITIRWMUEULI-PKAIDYEGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025927
|
Local ready
Direct docking supported
|
|
E3L044542
BDB044542
|
BDBM50025928
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H58N8O7 762.953000 |
IKTWAJYRQBBRIB-QTCSXKEMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025928
|
Local ready
Direct docking supported
|
|
E3L044543
BDB044543
|
BDBM50025929
CC[C@H](C)[C@H](NC(=O)C(F)(F)[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H56F2N8O7 798.933000 |
CPUSLIQWJPPCAC-YXKTVTGNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025929
|
Local ready
Direct docking supported
|
|
E3L044544
BDB044544
|
BDBM50025930
CC[C@H](C)[C@H](NC(=O)C(F)(F)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H56F2N8O7 798.933000 |
CPUSLIQWJPPCAC-LVUDJFDHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025930
|
Local ready
Direct docking supported
|
|
E3L044545
BDB044545
|
BDBM50025932
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN=C(N)N)c1
|
C43H64N10O7 833.048000 |
APGABOCHNPKHDM-XYPUQJIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025932
|
Local ready
Direct docking supported
|
|
E3L044546
BDB044546
|
BDBM50025934
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1
|
C46H68N8O7 845.099000 |
HSZKRMBOKKRAQJ-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025934
|
Local ready
Direct docking supported
|
|
E3L044547
BDB044547
|
BDBM50025935
CC(C)C[C@@H](CNCc1ccccc1)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C44H63N5O6 758.017000 |
GBNUYVVEBXLPPJ-MQDBWYGVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025935
|
Local ready
Direct docking supported
|
|
E3L044548
BDB044548
|
BDBM50025937
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C44H62N8O8 831.028000 |
AGSXLSIXECZYEP-JPRYDEJLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025937
|
Local ready
Direct docking supported
|
|
E3L044549
BDB044549
|
BDBM50025939
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C46H60N8O8 853.034000 |
ABLQBUBJQGDTTI-BGBFCPIGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025939
|
Local ready
Direct docking supported
|
|
E3L044550
BDB044550
|
BDBM50025940
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C43H54N8O7 794.954000 |
NKFOIGBFTVJTDL-JPRYDEJLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025940
|
Local ready
Direct docking supported
|
|
E3L044551
BDB044551
|
BDBM50025941
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C45H64N8O8 845.055000 |
MRSMUOFUWSAJTO-BGBFCPIGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025941
|
Local ready
Direct docking supported
|
|
E3L044552
BDB044552
|
PhOAc-His-Sta-Leu-Phe-NH2
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C37H51N7O7 705.857000 |
QULCTOUFTAWQPK-XDIGFQIYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50025943; PubChem:CID90663939
|
Local ready
Direct docking supported
|
|
E3L044553
BDB044553
|
BDBM50025944
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C40H49N7O7 739.874000 |
GPRUYLDATGQOHQ-ZZTWKDBPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025944
|
Local ready
Direct docking supported
|
|
E3L044554
BDB044554
|
BDBM50025945
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C46H66N8O8 859.082000 |
WHSFNOLLOMZGRJ-BGBFCPIGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025945
|
Local ready
Direct docking supported
|
|
E3L044555
BDB044555
|
BDBM50025946
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C43H60N8O7 801.002000 |
HMWSVKCISNXDGB-JPRYDEJLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025946
|
Local ready
Direct docking supported
|
|
E3L044556
BDB044556
|
BDBM50025948
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C40H55N7O7 745.922000 |
QKZJVHBDROYZOJ-ZZTWKDBPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50025948
|
Local ready
Direct docking supported
|
|
E3L044557
BDB044557
|
Ac-Phe-His-Sta-Leu-Phe-NH2
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C40H56N8O7 760.937000 |
NWUZVLDOGPFCBW-LBBUGJAGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50025949; PubChem:CID13385305
|
Local ready
Direct docking supported
|
|
E3L044558
BDB044558
|
Dimethyl Sulfoxide
C[S+](C)[O-]
|
C2H6OS 78.136000 |
IAZDPXIOMUYVGZ-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50026472; PubChem:CID679
|
Local ready
Direct docking supported
|
|
E3L044559
BDB044559
|
Dimethyl Sulfone
CS(C)(=O)=O
|
C2H6O2S 94.135000 |
HHVIBTZHLRERCL-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50026473; PubChem:CID6213
|
Local ready
Direct docking supported
|
|
E3L044560
BDB044560
|
BDBM50026612
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
|
C31H33N5O4 539.636000 |
XZXHXSATPCNXJR-ZIADKAODSA-N | O14965, O95835, P51617, Q13233, Q92630 | Serine/threonine-protein kinase LATS1, Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Mitogen-activated protein kinase kinase kinase 1, Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50026612
|
Local ready
Direct docking supported
|