Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBIR2
LigandBDBM242641
Substrate/Competitorn/a
Meas. Tech.TR-FRET Assay for BIR2 and BIR3
pH7.5±n/a
Temperature298.15±n/a K
IC50 5.11±n/a nM
Commentsextracted
Citation Chen, SDonnell, AFKester, RFLe, KLou, YMichoud, CRemiszewski, SRupert, KCWeisel, M Tetrahydro-benzodiazepinones US Patent US10053431 Publication Date 8/21/2018
More Info.:Get all data from this article,  Assay Method
 
BIR2
Name:BIR2
Synonyms:6x Histidine-tagged BIR2 domain | amino acids 124-240 of XIAP
Type:Enzyme Catalytic Domain
Mol. Mass.:14676.71
Organism:Homo sapiens (Human)
Description:n/a
Residue:125
Sequence:
MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPD
YAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVLGRNL
NIRSE
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM242641
NameBDBM242641
Synonyms:(S)-N-((S)-1-((5-bromo-2- methoxynaphthalen-1-yl)methyl)-7- cyano-5-(4-cyanobenzoyl)-2-oxo-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride | US10053431, 143
TypeSmall organic molecule
Emp. Form.C34H29BrN6O4
Mol. Mass.665.536
SMILESCN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C#N)c2cc(ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a