Reaction Details Report a problem with these data
Target
Calmodulin-sensitive adenylate cyclase
Ligand
BDBM50486020
Substrate
n/a
Meas. Tech.
ChEMBL_884651 (CHEMBL2214667)
IC50
6800±n/a nM
Citation
 Chen, D; Ma, L; Kanalas, JJ; Gao, J; Pawlik, J; Jimenez, ME; Walter, MA; Peterson, JW; Gilbertson, SR; Schein, CH Structure-based redesign of an edema toxin inhibitor. Bioorg Med Chem 20:368-76 (2012) [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:
BDBM50486020
Synonyms:
CHEMBL2203680
Type:
Small organic molecule
Emp. Form.:
C21H12F3NO3
Mol. Mass.:
383.3201
SMILES:
FC(F)(F)Oc1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1
Structure:
Search PDB for entries with ligand similarity: