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Target
Cyclic GMP-AMP synthase [147-522]
Ligand
BDBM651816
Substrate
n/a
Meas. Tech.
Quantification of cGAS Protein Inhibition
IC50
61.0±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:
BDBM651816
Synonyms:
1-(5-(6-chloro-3-(1H-imidazol- 1-yl)-5-methoxy-1-methyl-1H- pyrrolo[3,2-b]pyridin-2-yl)-4H- 1,2,4-triazol-3-yl)-2,2,2- trifluoroethan-1-ol | US20240051954, Example 28
Type:
Small organic molecule
Emp. Form.:
C16H13ClF3N7O2
Mol. Mass.:
427.768
SMILES:
COc1nc2c(c(-c3nnc([nH]3)C(O)C(F)(F)F)n(C)c2cc1Cl)-n1ccnc1
Structure:
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