Reaction Details Report a problem with these data
Target
Calmodulin-sensitive adenylate cyclase
Ligand
BDBM50262663
Substrate
n/a
Meas. Tech.
ChEMBL_489981 (CHEMBL983796)
IC50
100000±n/a nM
Citation
 Chen, D; Misra, M; Sower, L; Peterson, JW; Kellogg, GE; Schein, CH Novel inhibitors of anthrax edema factor. Bioorg Med Chem 16:7225-33 (2008) [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:
BDBM50262663
Synonyms:
(3aS,4S,9bR)-4-(4-(methoxycarbonyl)phenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid | CHEMBL515333
Type:
Small organic molecule
Emp. Form.:
C21H19NO4
Mol. Mass.:
349.3799
SMILES:
COC(=O)c1ccc(cc1)[C@H]1Nc2ccc(cc2[C@@H]2C=CC[C@H]12)C(O)=O |r,c:21|
Structure:
Search PDB for entries with ligand similarity: