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Target
Calmodulin-sensitive adenylate cyclase
Ligand
BDBM50486026
Substrate
n/a
Meas. Tech.
ChEMBL_884651 (CHEMBL2214667)
IC50
11000±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:
BDBM50486026
Synonyms:
CHEMBL2203667
Type:
Small organic molecule
Emp. Form.:
C22H15NO4
Mol. Mass.:
357.3588
SMILES:
COC(=O)c1cccc(NC(=O)c2cccc3-c4ccccc4C(=O)c23)c1
Structure:
Search PDB for entries with ligand similarity: