Reaction Details
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Report a problem with these dataTarget
Cyclic GMP-AMP synthase
Ligand
BDBM639728
Substrate
n/a
Meas. Tech.
In Vitro Inhibition Assay
IC50
8.93±n/a nM
Citation
AHMED, A; MARTINEZ BROKAW, C; CARSON, CA; CONNER, SE; FORTNER, KC; FRANCISKOVICH, JB; GERNERT, DL; GREEN, SJ; LUGAR, III, CW; MARIMUTHU, J; NAGARAJAN, S; NICOLAOU, C; ONOBUN, E; STOUT, SL; TROMICZAK, EG; VARIN, T cGAS INHIBITORS US Patent US20230391786 Publication Date 12/7/2023 More Info.:
Target
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:
MQPWHGKAMQRASEAGATAPKASARNARGAPMDPTESPAAPEAALPKAGKFGPARKSGSRQKKSAPDTQERPPVRATGARAKKAPQRAQDTQPSDATSAPGAEGLEPPAAREPALSRAGSCRQRGARCSTKPRPPPGPWDVPSPGLPVSAPILVRRDAAPGASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF
Inhibitor
Name:
BDBM639728
Synonyms:
22-[6, 7-Dichloro-1-[1-(2-hydroxy ethyl)triazol-4-yl]-3-(1H-pyrazol-4-yl)indol-4-yl]oxyacetonitrile | US20230391786, Example 197
Type:
Small organic molecule
Emp. Form.:
C17H13Cl2N7O2
Mol. Mass.:
418.237
SMILES:
OCCn1cc(nn1)-n1cc(-c2cn[nH]c2)c2c(OCC#N)cc(Cl)c(Cl)c12
Structure:
