Reaction Details Report a problem with these data
Target
Cyclic GMP-AMP synthase
Ligand
BDBM50582697
Substrate
n/a
Meas. Tech.
ChEMBL_2196568 (CHEMBL5109084)
IC50
5150±n/a nM
Citation
 Zhao, J; Xiao, R; Zeng, R; He, E; Zhang, A Small molecules targeting cGAS-STING pathway for autoimmune disease. Eur J Med Chem 238:0 (2022) [PubMed] 
Target
Name:
Cyclic GMP-AMP synthase
Synonyms:
2'3'-cGAMP synthase | 2.7.7.86 | CGAS_MOUSE | Cgas | Mab-21 domain-containing protein 1 | Mb21d1 | Synonyms=Mb21d1 | cGAMP synthase | m-cGAS
Type:
PROTEIN
Mol. Mass.:
58224.36
Organism:
Mus musculus
Description:
ChEMBL_119133
Residue:
507
Sequence:
MEDPRRRTTAPRAKKPSAKRAPTQPSRTRAHAESCGPQRGARSRRAERDGDTTEKPRAPGPRVHPARATELTKDAQPSAMDAAGATARPAVRVPQQQAILDPELPAVREPQPPADPEARKVVRGPSHRRGARSTGQPRAPRGSRKEPDKLKKVLDKLRLKRKDISEAAETVNKVVERLLRRMQKRESEFKGVEQLNTGSYYEHVKISAPNEFDVMFKLEVPRIELQEYYETGAFYLVKFKRIPRGNPLSHFLEGEVLSATKMLSKFRKIIKEEVKEIKDIDVSVEKEKPGSPAVTLLIRNPEEISVDIILALESKGSWPISTKEGLPIQGWLGTKVRTNLRREPFYLVPKNAKDGNSFQGETWRLSFSHTEKYILNNHGIEKTCCESSGAKCCRKECLKLMKYLLEQLKKEFQELDAFCSYHVKTAIFHMWTQDPQDSQWDPRNLSSCFDKLLAFFLECLRTEKLDHYFIPKFNLFSQELIDRKSKEFLSKKIEYERNNGFPIFDKL
  
Inhibitor
Name:
BDBM50582697
Synonyms:
CHEMBL5081956
Type:
Small organic molecule
Emp. Form.:
C16H14Cl2N4O2
Mol. Mass.:
365.214
SMILES:
OCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)cc(-c4cn[nH]c4)c3c2C1
Structure:
Search PDB for entries with ligand similarity: