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Target
Three-prime repair exonuclease 1
Ligand
BDBM550454
Substrate
n/a
Meas. Tech.
Exonuclease Assay
IC50
5500±n/a nM
Citation
 Letourneau, JJ; Selvarangan Elamparuthi, K; Huang, C; Bommireddy Venkata, V Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors US Patent  US11306098 Publication Date 4/19/2022 
Target
Name:
Three-prime repair exonuclease 1
Synonyms:
3'-5' exonuclease TREX1 | DNase III | Deoxyribonuclease III | TREX1 | TREX1_HUMAN
Type:
Protein
Mol. Mass.:
33217.46
Organism:
Human
Description:
Q9NSU2
Residue:
314
Sequence:
MGSQALPPGPMQTLIFFDMEATGLPFSQPKVTELCLLAVHRCALESPPTSQGPPPTVPPPPRVVDKLSLCVAPGKACSPAASEITGLSTAVLAAHGRQCFDDNLANLLLAFLRRQPQPWCLVAHNGDRYDFPLLQAELAMLGLTSALDGAFCVDSITALKALERASSPSEHGPRKSYSLGSIYTRLYGQSPPDSHTAEGDVLALLSICQWRPQALLRWVDAHARPFGTIRPMYGVTASARTKPRPSAVTTTAHLATTRNTSPSLGESRGTKDLPPVKDPGALSREGLLAPLGLLAILTLAVATLYGLSLATPGE
  
Inhibitor
Name:
BDBM550454
Synonyms:
(2R)-2-((8R,9aS)-8-acetamido-1-oxo-5-phenethylhexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl)-N-(3,4-dichlorobenzyl)-4-methylpentanamide HCl | US11306098, Example 20 | US11583538, Example 127
Type:
Small organic molecule
Emp. Form.:
C31H40Cl2N4O3
Mol. Mass.:
587.58
SMILES:
CC(C)C[C@@H](N1CCC(CCc2ccccc2)N2C[C@@H](C[C@H]2C1=O)NC(C)=O)C(=O)NCc1ccc(Cl)c(Cl)c1 |r|
Structure:
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