Reaction Details
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Cyclic GMP-AMP synthase
Ligand
BDBM639815
Substrate
n/a
Meas. Tech.
In Vitro Inhibition Assay
IC50
12.4±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:
BDBM639815
Synonyms:
US20230391786, Example 284
Type:
Small organic molecule
Emp. Form.:
C21H18Cl2N6O4
Mol. Mass.:
489.311
SMILES:
Clc1cc(OCC#N)c2c(-c3cn[nH]c3)c3CN(CCn3c2c1Cl)C(=O)CN1CCOC1=O
Structure:
