Reaction Details Report a problem with these data
Target
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]
Ligand
BDBM557722
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.645±n/a nM
Citation
 Brown, SP; Li, K; Li, Y; Reed, AB; Lanman, BA Compounds that inhibit Mcl-1 protein US Patent  US11364248 Publication Date 6/21/2022 
Target
Name:
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]
Synonyms:
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] | Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]/Bcl-2-like protein 11 [51-76] | Mcl-1 and BIM | Mcl-1/BIM
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327]
Synonyms:
BCL2L3 | Induced myeloid leukemia cell differentiation protein Mcl-1(171-327) | MCL1 | MCL1_HUMAN | Myeloid cell leukemia 1 (Mcl-1)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
17896.13
Organism:
Homo sapiens (Human)
Description:
Q07820[171-327]
Residue:
157
Sequence:
EDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGG
  
Component 2
Name:
Bcl-2-like protein 11 [51-76]
Synonyms:
B2L11_HUMAN | BCL2L11 | BIM | Bcl-2-like protein 11 (51-76) | Bcl-2-like protein 11 (BIM) (51-76)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
2530.22
Organism:
Homo sapiens (Human)
Description:
O43521[51-76]
Residue:
26
Sequence:
EGDSCPHGSPQGPLAPPASPGPFATR
  
Inhibitor
Name:
BDBM557722
Synonyms:
US11364248, Example 17
Type:
Small organic molecule
Emp. Form.:
C36H48ClN3O6S
Mol. Mass.:
686.301
SMILES:
C[C@H]1CCC[C@@H]([C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS(=O)(=O)[C@@H]1C)[C@H]1OC[C@H](N)CO1 |r,wU:5.45,6.6,9.8,1.0,38.44,40.52,wD:13.14,43.49,(-2.41,-23.17,;-3.74,-23.94,;-3.74,-22.4,;-5.08,-21.63,;-6.41,-22.4,;-7.74,-21.63,;-9.08,-22.4,;-7.74,-23.17,;-7.74,-24.71,;-9.08,-23.94,;-10.41,-24.71,;-10.41,-26.25,;-11.91,-26.59,;-12.58,-27.98,;-13.35,-29.31,;-14.89,-29.31,;-15.66,-27.98,;-14.89,-26.65,;-15.66,-25.31,;-14.89,-23.98,;-15.66,-22.65,;-13.35,-23.98,;-12.58,-25.31,;-13.35,-26.65,;-11.91,-29.37,;-10.41,-29.71,;-9.21,-28.75,;-7.87,-29.52,;-6.54,-28.75,;-6.54,-27.21,;-7.87,-26.44,;-9.21,-27.21,;-5.08,-26.25,;-5.08,-24.71,;-3.74,-27.02,;-2.41,-26.25,;-1.08,-25.48,;-2.01,-27.74,;-2.41,-24.71,;-1.08,-23.94,;-7.74,-20.32,;-9.08,-19.55,;-9.08,-18.01,;-7.74,-17.24,;-7.74,-15.7,;-6.41,-18.01,;-6.41,-19.55,)|
Structure:
Search PDB for entries with ligand similarity: