Reaction Details Report a problem with these data
Target
Bcl-2-like protein 1
Ligand
BDBM40627
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of MCL1: fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of BCL2-related protein, long isoform (BCLXL).
IC50
108803±n/a nM
Citation
 PubChem, PC Counterscreen for inhibitors of MCL1: fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of BCL2-related protein, long isoform (BCLXL). PubChem Bioassay (2009)[AID] 
Target
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:
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
  
Inhibitor
Name:
BDBM40627
Synonyms:
(E)-3-amino-2-[1-oxo-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]ethyl]-2-butenenitrile | (E)-3-amino-2-[2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]acetyl]but-2-enenitrile | (E)-3-amino-2-[2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile | (E)-3-azanyl-2-[2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]but-2-enenitrile | MLS000056676 | SMR000065414 | cid_5742574
Type:
Small organic molecule
Emp. Form.:
C11H15N5OS2
Mol. Mass.:
297.4
SMILES:
CC(C)Nc1nnc(SCC(=O)C(C#N)C(C)=N)s1
Structure:
Search PDB for entries with ligand similarity: