Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBcl-2-like protein 1/Bcl2-associated agonist of cell death [103-127,M117N]
LigandBDBM562377
Substrate/Competitorn/a
Meas. Tech.Protein-Protein Interaction Assay
IC50>20000±n/a nM
Citation Furst, LSerrano-Wu, MHLemke, CMcKinney, DFitzgerald, MNasveschuk, CLazarski, KFerrara, SJWei, GMcCarren, PRThede, KMengel, AChrist, CKuhnke, JJohannes, SABuchgraber, PKlar, URauh, UKaulfuss, SFernandez-Montalvan, AEWerbeck, NMönning, UNowak-Reppel, K Macrocyclic indole derivatives US Patent US11401278 Publication Date 8/2/2022
More Info.:Get all data from this article,  Assay Method
 
Bcl-2-like protein 1/Bcl2-associated agonist of cell death [103-127,M117N]
Name:Bcl-2-like protein 1/Bcl2-associated agonist of cell death [103-127,M117N]
Synonyms:BCL-XL/Bad BH3
Type:Protein
Mol. Mass.:n/a
Description:n/a
Components:This complex has 2 components.
Component 1
Name:Bcl-2-like protein 1
Synonyms:Anti-apoptotic Bcl-2 protein | Apoptosis Regulator Bcl-xL | Apoptosis regulator Bcl-X | B2CL1_HUMAN | BCL2-like 1 isoform 1 | BCL2L | BCL2L1 | BCLX | Bcl-2-like protein 1 (Bcl-XL) | Bcl-X | Bcl-xL/Bcl-2-binding component 3 | Bcl2-L-1 | Bcl2-antagonist of cell death (BAD)
Type:Mitochondrion membrane; Single-pass membrane protein
Mol. Mass.:26039.60
Organism:Homo sapiens (Human)
Description:n/a
Residue:233
Sequence:
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLA
DSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAY
QSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEP
WIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
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:
BDBM562377
n/a
NameBDBM562377
Synonyms:(rac)-4-chloro-7-{3-[(6-fluoro-1-naphthyl)oxy]propyl}-2,3,14-trimethyl-15-(rac)-[2-(morpholin-4-yl)ethyl]-11,12,14,15-tetrahydro-2H,10H-pyrazolo[3′,4′:4,5][1,2,8]thiadiazacycloundecino[6,7,8-hi]indole-8-carboxylic acid 13,13-dioxide (Mixture of Stereoisomers) | US11401278, Example 48 | US11401278, Example 65 | US11401278, Example 66 | US11401278, Example 67
TypeSmall organic molecule
Emp. Form.C38H43ClFN5O6S
Mol. Mass.752.294
SMILESCN1C(CCN2CCOCC2)c2nn(C)c(C)c2-c2c(Cl)ccc3c(CCCOc4cccc5cc(F)ccc45)c(C(O)=O)n(CCCS1(=O)=O)c23
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: