Reaction Details Report a problem with these data
Target
X-box-binding protein 1
Ligand
BDBM68062
Substrate
n/a
Meas. Tech.
XBP1 DR counterscreen for CHOP
IC50
10000±n/a nM
Citation
 PubChem, PC XBP1 DR counterscreen for CHOP PubChem Bioassay (2011)[AID] 
Target
Name:
X-box-binding protein 1
Synonyms:
TREB5 | XBP1 | XBP1_HUMAN | XBP2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
28704.14
Organism:
Homo sapiens (Human)
Description:
gi_47678753
Residue:
261
Sequence:
MVVVAAAPNPADGTPKVLLLSGQPASAAGAPAGQALPLMVPAQRGASPEAASGGLPQARKRQRLTHLSPEEKALRRKLKNRVAAQTARDRKKARMSELEQQVVDLEEENQKLLLENQLLREKTHGLVVENQELRQRLGMDALVAEEEAEAKGNEVRPVAGSAESAALRLRAPLQQVQAQLSPLQNISPWILAVLTLQIQSLISCWAFWTTWTQSCSSNALPQSLPAWRSSQRSTQKDPVPYQPPFLCQWGRHQPSWKPLMN
  
Inhibitor
Name:
BDBM68062
Synonyms:
MLS000335164 | N-cyclopropyl-5-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-6H-1,3,4-thiadiazin-2-amine | N-cyclopropyl-5-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-6H-1,3,4-thiadiazin-2-amine | N-cyclopropyl-5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-6H-1,3,4-thiadiazin-2-amine | SMR000249922 | cid_4543045 | cyclopropyl-[5-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-6H-1,3,4-thiadiazin-2-yl]amine
Type:
Small organic molecule
Emp. Form.:
C18H19FN4S
Mol. Mass.:
342.434
SMILES:
Cc1cc(c(C)n1-c1ccccc1F)C1=NN=C(NC2CC2)SC1 |t:16,18,(8.87,4.61,;7.96,3.37,;8.44,1.9,;7.19,1,;5.95,1.9,;4.48,1.43,;6.42,3.37,;5.52,4.61,;3.99,4.45,;3.08,5.7,;3.71,7.11,;5.24,7.27,;6.14,6.02,;7.67,6.18,;7.19,-.54,;8.53,-1.31,;8.53,-2.85,;7.19,-3.62,;7.19,-5.16,;8.53,-5.93,;9.3,-7.27,;10.07,-5.93,;5.86,-2.85,;5.86,-1.31,)|
Structure:
Search PDB for entries with ligand similarity: