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
BDBM557745
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.617±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:
BDBM557745
Synonyms:
US11364248, Example 41 | US11364248, Example 42
Type:
Small organic molecule
Emp. Form.:
C37H50ClN3O6S
Mol. Mass.:
700.327
SMILES:
CN[C@H]1CO[C@H](OC1)[C@H]1CCC[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,wU:8.8,45.47,42.45,12.13,14.15,5.4,2.1,wD:28.29,(-27.68,7.07,;-29.01,6.3,;-29.01,4.76,;-27.68,3.99,;-27.68,2.45,;-29.01,1.68,;-30.34,2.45,;-30.34,3.99,;-29.01,.14,;-27.68,-.63,;-26.34,.14,;-25.01,-.63,;-25.01,-2.17,;-23.68,-1.4,;-23.68,-2.94,;-22.34,-2.17,;-23.68,-4.48,;-22.34,-3.71,;-23.28,-5.97,;-25.27,-5.44,;-26.6,-4.67,;-26.6,-3.13,;-27.81,-5.44,;-27.81,-6.98,;-29.14,-7.75,;-30.47,-6.98,;-31.68,-7.94,;-33.18,-7.6,;-33.85,-6.21,;-34.62,-7.55,;-36.16,-7.55,;-36.93,-6.21,;-36.16,-4.88,;-36.93,-3.54,;-36.16,-2.21,;-36.93,-.88,;-34.62,-2.21,;-33.85,-3.54,;-34.62,-4.88,;-33.18,-4.82,;-31.68,-4.48,;-31.68,-2.94,;-30.34,-2.17,;-29.01,-2.94,;-29.01,-1.4,;-30.34,-.63,;-30.47,-5.44,;-29.14,-4.67,)|
Structure:
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