Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBcl-2-like protein 1 [1-212]/Bad BH3 Peptide
LigandBDBM572180
Substrate/Competitorn/a
Meas. Tech.BCL-XL/Bad BH3 Peptide (BCL-XL Assay)
IC50 12000±n/a nM
Citation Thede, KMengel, AChrist, CKuhnke, JJohannes, SABuchgraber, PKlar, URauh, UKaulfuss, SFernandez-Montalvan, AEWerbeck, NMoenning, UNowak-Reppel, KLemke, CSerrano-Wu, MHMcKinney, DFitzgerald, MNasveschuk, CLazarski, KFerrara, SJFurst, LWei, GMcCarren, PRHarvey, RAPayne, DPesnot, TWilson, C Macrocyclic chlorine substituted indole derivatives US Patent US11478451 Publication Date 10/25/2022
More Info.:Get all data from this article,  Assay Method
 
Bcl-2-like protein 1 [1-212]/Bad BH3 Peptide
Name:Bcl-2-like protein 1 [1-212]/Bad BH3 Peptide
Synonyms:BCL-XL/Bad BH3 Peptide
Type:Enzyme
Mol. Mass.:n/a
Description:n/a
Components:This complex has 2 components.
Component 1
Name:Bcl-2-like protein 1 [1-212]
Synonyms:B2CL1_HUMAN | BCL2L | BCL2L1 | BCLX
Type:Protein
Mol. Mass.:23772.86
Organism:Homo sapiens (Human)
Description:Q07817[1-212]
Residue:212
Sequence:
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLA
DSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAY
QSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEP
WIQENGGWDTFVELYGNNAAAESRKGQERFNR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Bcl2-associated agonist of cell death [103-127,M117N]
Synonyms:BAD | BAD_HUMAN | BBC6 | BCL2L8 | cl2-associated agonist of cell death (BAD)(BH3)
Type:n/a
Mol. Mass.:3088.39
Organism:Homo sapiens (Human)
Description:Q92934[103-127,M117N]
Residue:25
Sequence:
NLWAAQRYGRELRRNSDEFVDSFKK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM572180
n/a
NameBDBM572180
Synonyms:(rac)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-1-methyl-1,10,11,12,13,15-hexahydropyrazolo[4′,3′:9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic Acid | US11447504, Example 33 | US11478451, Example 35
TypeSmall organic molecule
Emp. Form.C33H33ClFN3O4
Mol. Mass.590.084
SMILESCCc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(Cl)c(-c12)c34
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: