Reaction Details Report a problem with these data
Target
Cyclic GMP-AMP synthase
Ligand
BDBM50582677
Substrate
n/a
Meas. Tech.
ChEMBL_2155362 (CHEMBL5040022)
IC50
9940±n/a nM
Citation
 Tan, J; Wu, B; Chen, T; Fan, C; Zhao, J; Xiong, C; Feng, C; Xiao, R; Ding, C; Tang, W; Zhang, A Synthesis and Pharmacological Evaluation of Tetrahydro-?-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP-AMP Synthase. J Med Chem 64:7667-7690 (2021) [PubMed]  Article 
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:
BDBM50582677
Synonyms:
CHEMBL5093811
Type:
Small organic molecule
Emp. Form.:
C20H16Cl2F3N3O2
Mol. Mass.:
458.261
SMILES:
OCC(=O)N1CCC2=Nc3c(ccc(Cl)c3Cl)C2(C1)Nc1ccc(cc1)C(F)(F)F |t:7|
Structure:
Search PDB for entries with ligand similarity: