Reaction Details Report a problem with these data
Target
Cyclic GMP-AMP synthase
Ligand
BDBM50250111
Substrate
n/a
Meas. Tech.
ChEMBL_1680902 (CHEMBL4031179)
Kd
2700±n/a nM
Citation
 Hall, J; Brault, A; Vincent, F; Weng, S; Wang, H; Dumlao, D; Aulabaugh, A; Aivazian, D; Castro, D; Chen, M; Culp, J; Dower, K; Gardner, J; Hawrylik, S; Golenbock, D; Hepworth, D; Horn, M; Jones, L; Jones, P; Latz, E; Li, J; Lin, LL; Lin, W; Lin, D; Lovering, F; Niljanskul, N; Nistler, R; Pierce, B; Plotnikova, O; Schmitt, D; Shanker, S; Smith, J; Snyder, W; Subashi, T; Trujillo, J; Tyminski, E; Wang, G; Wong, J; Lefker, B; Dakin, L; Leach, K Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay. PLoS ONE 12:1-16 (2017) [PubMed]  Article 
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:
BDBM50250111
Synonyms:
CHEMBL4084664
Type:
Small organic molecule
Emp. Form.:
C16H16N4O3
Mol. Mass.:
312.3232
SMILES:
C[C@@H](CO)NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: