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Target
Cyclic GMP-AMP synthase [147-522]
Ligand
BDBM651814
Substrate
n/a
Meas. Tech.
Quantification of cGAS Protein Inhibition
IC50
107±n/a nM
Citation
 CARCACHE, D; GRUBER, F; GUERINI, D; GUNZENHAUSER, M; HENG, R; PERRUCCIO, F; SIMIC, O; SPANKA, C PYRROLO[3,2-B]PYRIDINE DERIVATIVES USEFUL IN TREATING CONDITIONS ASSOCIATED WITH CGAS US Patent  US20240051954 Publication Date 2/15/2024 
Target
Name:
Cyclic GMP-AMP synthase [147-522]
Synonyms:
n/a
Type:
Enzyme Catalytic Domain
Mol. Mass.:
43795.21
Organism:
Homo sapiens (Human)
Description:
Q8N884[147-522]
Residue:
376
Sequence:
PVSAPILVRRDAAPGASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF
  
Inhibitor
Name:
BDBM651814
Synonyms:
6-chloro-3-(1H-imidazol-1-yl)- 5-methoxy-1-methyl-2-(5- (2,2,2-trifluoro-1-methoxy- ethyl)-4H-1,2,4-triazol-3-yl)- 1H-pyrrolo[3,2-b]pyridine | US20240051954, Example 26
Type:
Small organic molecule
Emp. Form.:
C17H15ClF3N7O2
Mol. Mass.:
441.795
SMILES:
COC(c1nnc([nH]1)-c1c(-n2ccnc2)c2nc(OC)c(Cl)cc2n1C)C(F)(F)F
Structure:
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