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Target
Calmodulin-sensitive adenylate cyclase
Ligand
BDBM50452677
Substrate
n/a
Meas. Tech.
ChEMBL_1748049 (CHEMBL4182559)
Ki
2100±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:
BDBM50452677
Synonyms:
CHEMBL4218072
Type:
Small organic molecule
Emp. Form.:
C18H19FN6O3S
Mol. Mass.:
418.445
SMILES:
Cc1nc(N)c2cnn(C3CCN(CC3)C(=O)c3ccc(cc3)S(F)(=O)=O)c2n1
Structure:
Search PDB for entries with ligand similarity: