Reaction Details Report a problem with these data
Target
Calmodulin-sensitive adenylate cyclase
Ligand
BDBM50452686
Substrate
n/a
Meas. Tech.
ChEMBL_1748049 (CHEMBL4182559)
Ki
38900±n/a nM
Citation
 Jiao, GS; Kim, S; Moayeri, M; Thai, A; Cregar-Hernandez, L; McKasson, L; O'Malley, S; Leppla, SH; Johnson, AT Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett 28:134-139 (2018) [PubMed]  Article 
Target
Name:
Calmodulin-sensitive adenylate cyclase
Synonyms:
CYAA_BACAN | cya
Type:
PROTEIN
Mol. Mass.:
92481.33
Organism:
Bacillus anthracis
Description:
ChEMBL_606615
Residue:
800
Sequence:
MTRNKFIPNKFSIISFSVLLFAISSSQAIEVNAMNEHYTESDIKRNHKTEKNKTEKEKFKDSINNLVKTEFTNETLDKIQQTQDLLKKIPKDVLEIYSELGGEIYFTDIDLVEHKELQDLSEEEKNSMNSRGEKVPFASRFVFEKKRETPKLIINIKDYAINSEQSKEVYYEIGKGISLDIISKDKSLDPEFLNLIKSLSDDSDSSDLLFSQKFKEKLELNNKSIDINFIKENLTEFQHAFSLAFSYYFAPDHRTVLELYAPDMFEYMNKLEKGGFEKISESLKKEGVEKDRIDVLKGEKALKASGLVPEHADAFKKIARELNTYILFRPVNKLATNLIKSGVATKGLNVHGKSSDWGPVAGYIPFDQDLSKKHGQQLAVEKGNLENKKSITEHEGEIGKIPLKLDHLRIEELKENGIILKGKKEIDNGKKYYLLESNNQVYEFRISDENNEVQYKTKEGKITVLGEKFNWRNIEVMAKNVEGVLKPLTADYDLFALAPSLTEIKKQIPQKEWDKVVNTPNSLEKQKGVTNLLIKYGIERKPDSTKGTLSNWQKQMLDRLNEAVKYTGYTGGDVVNHGTEQDNEEFPEKDNEIFIINPEGEFILTKNWEMTGRFIEKNITGKDYLYYFNRSYNKIAPGNKAYIEWTDPITKAKINTIPTSAEFIKNLSSIRRSSNVGVYKDSGDKDEFAKKESVKKIAGYLSDYYNSANHIFSQEKKRKISIFRGIQAYNEIENVLKSKQIAPEYKNYFQYLKERITNQVQLLLTHQKSNIEFKLLYKQLNFTENETDNFEVFQKIIDEK
  
Inhibitor
Name:
BDBM50452686
Synonyms:
CHEMBL4217363
Type:
Small organic molecule
Emp. Form.:
C16H16FN3O4S
Mol. Mass.:
365.379
SMILES:
Nc1cc(O[C@@H]2CCN(C2)C(=O)c2ccc(cc2)S(F)(=O)=O)ccn1 |r|
Structure:
Search PDB for entries with ligand similarity: