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
BDBM557747
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.251±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:
BDBM557747
Synonyms:
US11364248, Example 43
Type:
Small organic molecule
Emp. Form.:
C38H52ClN3O6S
Mol. Mass.:
714.354
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](CO1)N(C)C |r,wU:38.44,6.6,9.8,1.0,40.51,wD:13.14,5.45,43.52,(7.66,-19.17,;6.17,-19.57,;6.17,-18.03,;4.84,-17.26,;3.51,-18.03,;2.17,-17.26,;.84,-18.03,;2.17,-18.8,;2.17,-20.34,;.84,-19.57,;-.49,-20.34,;-.49,-21.88,;-2,-22.22,;-2.66,-23.61,;-3.43,-24.94,;-4.97,-24.94,;-5.74,-23.61,;-4.97,-22.27,;-5.74,-20.94,;-4.97,-19.6,;-5.74,-18.27,;-3.43,-19.6,;-2.66,-20.94,;-3.43,-22.27,;-2,-24.99,;-.49,-25.34,;.71,-24.38,;2.04,-25.15,;3.38,-24.38,;3.38,-22.84,;2.04,-22.07,;.71,-22.84,;4.71,-22.07,;4.71,-20.53,;6.04,-22.84,;7.38,-22.07,;8.15,-23.4,;8.86,-21.67,;7.38,-20.53,;8.47,-19.44,;2.17,-15.72,;.84,-14.95,;.84,-13.41,;2.17,-12.58,;3.51,-13.41,;3.51,-14.95,;2.17,-11.04,;.84,-10.27,;3.51,-10.27,)|
Structure:
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