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TargetCyclic GMP-AMP synthase
LigandBDBM639734
Substrate/Competitorn/a
Meas. Tech.In Vitro Inhibition Assay
IC50 6.77±n/a nM
Citation AHMED, AMARTINEZ BROKAW, CCARSON, CACONNER, SEFORTNER, KCFRANCISKOVICH, JBGERNERT, DLGREEN, SJLUGAR, III, CWMARIMUTHU, JNAGARAJAN, SNICOLAOU, CONOBUN, ESTOUT, SLTROMICZAK, EGVARIN, T cGAS INHIBITORS US Patent US20230391786 Publication Date 12/7/2023
More Info.:Get all data from this article,  Assay Method
 
Cyclic GMP-AMP synthase
Name:Cyclic GMP-AMP synthase
Synonyms:2.7.7.86 | C6orf150 | CGAS | CGAS_HUMAN | Cyclic GMP-AMP synthase | MB21D1 | Mab-21 domain-containing protein 1 | Synonyms=C6orf150 | cGAMP synthase | h-cGAS
Type:PROTEIN
Mol. Mass.:58845.55
Organism:Homo sapiens
Description:ChEMBL_117333
Residue:522
Sequence:
MQPWHGKAMQRASEAGATAPKASARNARGAPMDPTESPAAPEAALPKAGKFGPARKSGSR
QKKSAPDTQERPPVRATGARAKKAPQRAQDTQPSDATSAPGAEGLEPPAAREPALSRAGS
CRQRGARCSTKPRPPPGPWDVPSPGLPVSAPILVRRDAAPGASKLRAVLEKLKLSRDDIS
TAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLE
EYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKR
KRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLV
PKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQL
KERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKL
ENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM639734
n/a
NameBDBM639734
Synonyms:2-((6,7-Dichloro-2-(5-methyl-1,3,4-thiadiazol-2-yl)-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-yl)oxy)acetonitrile | US20230391786, Example 203
TypeSmall organic molecule
Emp. Form.C19H15Cl2N7OS
Mol. Mass.460.34
SMILESCc1nnc(s1)N1CCn2c(C1)c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c21
Structure
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