| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043961
BDB043961
|
BDBM50017793
CC[C@H](C)[C@H](NC(=O)C(CP(=O)(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)OC(C)(C)C
|
C50H77N10O10P 1009.200000 |
BZGPXSKBHGXGKJ-WFXOYHMKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017793
|
Local ready
Direct docking supported
|
|
E3L043962
BDB043962
|
BDBM50017794
CC[C@H](C)[C@H](NC(=O)CCP(=O)(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
|
C43H59N10O9P 890.980000 |
QVPIBNJTNKFOGN-LMUZKWOFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017794
|
Local ready
Direct docking supported
|
|
E3L043963
BDB043963
|
BDBM50017795
CC[C@H](C)[C@H](NC(=O)[C@H](CP(=O)(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
|
C46H65N10O9P 933.061000 |
WJGKLIIOPLRQII-FMLHHIJUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017795
|
Local ready
Direct docking supported
|
|
E3L043964
BDB043964
|
BDBM50017796
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)P(=O)(O)O
|
C33H43N6O8P 682.715000 |
GVAHUOPZUZXLJB-YAZNYETNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50017796; PubChem:CID44290303
|
Local ready
Direct docking supported
|
|
E3L043965
BDB043965
|
BDBM50017797
CC[C@H](C)[C@H](NC(=O)C(CP(=O)(O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
|
C47H71N8O9P 923.106000 |
NTANVGUUHSOHEJ-BIVZVRRMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017797
|
Local ready
Direct docking supported
|
|
E3L043966
BDB043966
|
Z-Pro-Phe-His-LeuP(CH2)Val-Ala-Sta-OMe
COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C(CP(=O)(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(C)C
|
C51H75N8O12P 1023.179000 |
XFQKNTPXACLJLI-AWGACFMHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50017799; PubChem:CID44290381
|
Local ready
Direct docking supported
|
|
E3L043967
BDB043967
|
BDBM50017800
COC(=O)CP(=O)(O)C(CC(C)C)NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NCC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
|
C43H62N7O11P 883.981000 |
KCBJGFLFMVGZTI-XXLKLDLISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017800
|
Local ready
Direct docking supported
|
|
E3L043968
BDB043968
|
Z-Pro-Phe-His-LeuP(CH2)Val-Ile-His-NH2
CC[C@H](C)[C@H](NC(=O)C(CP(=O)(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
|
C51H72N11O10P 1030.178000 |
INOHKQLXZLILIK-WRIWCUHFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50017801; PubChem:CID44290139
|
Local ready
Direct docking supported
|
|
E3L043969
BDB043969
|
BDBM50017802
CC[C@H](C)[C@H](NC(=O)C(CP(=O)(O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
|
C46H69N8O9P 909.079000 |
FBAICNVMWKZDEU-QACNZCMZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017802
|
Local ready
Direct docking supported
|
|
E3L043970
BDB043970
|
BDBM50017803
CC[C@H](C)[C@H](NC(=O)C(CP(=O)(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C49H67N8O9P 943.096000 |
ZRLDHFVRIWNZFU-KYBJIYCUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017803
|
Local ready
Direct docking supported
|
|
E3L043971
BDB043971
|
H-Pro-His-Pro-Phe-His-LeuP(CH2)Val-Ile-His-Lys-OH
CC[C@H](C)[C@H](NC(=O)C(CP(=O)(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)O
|
C60H91N16O12P 1259.462000 |
ZTZOMFAFEBFYFI-YDGGDEROSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50017804; PubChem:CID44290111
|
Local ready
Direct docking supported
|
|
E3L043972
BDB043972
|
BDBM50017805
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[PH](=O)O
|
C33H43N6O7P 666.716000 |
RGBKGYRQVGEQJB-YAZNYETNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017805
|
Local ready
Direct docking supported
|
|
E3L043973
BDB043973
|
BDBM50017806
COC(=O)C(CP(=O)(O)C(CC(C)C)NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C
|
C43H63N6O10P 854.983000 |
VLEISJUHFSVYHB-LBRCTEOZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017806
|
Local ready
Direct docking supported
|
|
E3L043974
BDB043974
|
BDBM50017808
CC[C@H](C)[C@H](NC(=O)C(CP(=O)(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
|
C44H69N10O9P 913.071000 |
HPZGANFHMGQHPX-FPBDZKRFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017808
|
Local ready
Direct docking supported
|
|
E3L043975
BDB043975
|
BDBM50017809
CC[C@H](C)[C@H](NC(=O)CP(=O)(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
|
C42H57N10O9P 876.953000 |
HFGCVYJCRRYMPB-RFFWBUNISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017809
|
Local ready
Direct docking supported
|
|
E3L043976
BDB043976
|
BDBM50017810
CC[C@H](C)[C@H](NC(=O)C(CP(=O)(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
|
C48H68N11O10P 990.113000 |
JPWRBBNLFNYKFH-OKAXRJESSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017810
|
Local ready
Direct docking supported
|
|
E3L043977
BDB043977
|
BDBM50018534
CC(C)OC1=C(C(=O)c2ccccc2)C(c2ccc(Br)cc2)N(Cc2ccc(C(F)(F)F)cc2OC(C)(C)C)C1=O
|
C32H31BrF3NO4 630.501000 |
DDGLEKLITDIHCD-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50018534; PubChem:CID90644126
|
Local ready
Direct docking supported
|
|
E3L043978
BDB043978
|
BDBM50018535
CC(C)OC1=C(C(=O)c2ccccc2)C(c2ccc(Br)cc2)N(Cc2ccc(C(F)(F)F)cc2OC(C)C)C1=O
|
C31H29BrF3NO4 616.474000 |
MDMFKEZQHNYPHC-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50018535; PubChem:CID90644127
|
Local ready
Direct docking supported
|
|
E3L043979
BDB043979
|
BDBM50018536
CCOc1cc(C(F)(F)F)ccc1CN1C(=O)C(OC(C)C)=C(C(=O)c2ccccc2)C1c1ccc(Br)cc1
|
C30H27BrF3NO4 602.447000 |
YTQCEGJVVHJZMR-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50018536; PubChem:CID90644128
|
Local ready
Direct docking supported
|
|
E3L043980
BDB043980
|
BDBM50018537
COc1cc(C(F)(F)F)ccc1CN1C(=O)C(OC(C)C)=C(C(=O)c2ccccc2)C1c1ccc(Br)cc1
|
C29H25BrF3NO4 588.420000 |
LXIKGNVHAYBTIO-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50018537; PubChem:CID90644129
|
Local ready
Direct docking supported
|