BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCyclic GMP-AMP synthase
LigandBDBM639763
Substrate/Competitorn/a
Meas. Tech.In Vitro Inhibition Assay
IC50 3.76±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:
BDBM639763
n/a
NameBDBM639763
Synonyms:(S)—N-(5,6-Dichloro-8-(cyanomethoxy)-9-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetamide | US20230391786, Example 232
TypeSmall organic molecule
Emp. Form.C18H15Cl2N5O2
Mol. Mass.404.25
SMILESCC(=O)N[C@H]1CCn2c1c(-c1cn[nH]c1)c1c(OCC#N)cc(Cl)c(Cl)c21 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: