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
BDBM557751
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.568±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:
BDBM557751
Synonyms:
N-(cis-2-((1S,3'R,6'R,7'S,11'S,12'R)-6- chloro-11',12'-dimethyl-13',13'-dioxido-15'- oxo-3,4-dihydro-2H-spiro[naphthalene-1,22'- [20]oxa[13]thia[1,14]diazatetracyclo [14.7.2.0~3,6~.0~19,24~]pentacosa[16,18,24] trien]-7'-yl)-1,3-dioxan-5-yl)-N- methylacetamide OR | US11364248, Example 47
Type:
Small organic molecule
Emp. Form.:
C39H52ClN3O7S
Mol. Mass.:
742.364
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(C)=O |r,wU:6.6,9.8,5.45,1.0,38.44,40.46,43.52,wD:13.14,(6.04,-1.89,;4.55,-2.29,;4.55,-.75,;3.21,.02,;1.88,-.75,;.55,.02,;-.79,-.75,;.55,-1.52,;.55,-3.06,;-.79,-2.29,;-2.12,-3.06,;-2.12,-4.6,;-3.62,-4.95,;-4.29,-6.33,;-5.06,-7.67,;-6.6,-7.67,;-7.37,-6.33,;-6.6,-5,;-7.37,-3.67,;-6.6,-2.33,;-7.37,-1,;-5.06,-2.33,;-4.29,-3.67,;-5.06,-5,;-3.62,-7.72,;-2.12,-8.06,;-.92,-7.1,;.42,-7.87,;1.75,-7.1,;1.75,-5.56,;.42,-4.79,;-.92,-5.56,;3.09,-4.79,;3.09,-3.25,;4.42,-5.56,;5.88,-4.6,;7.37,-4.2,;6.28,-6.09,;5.88,-3.06,;6.97,-1.97,;.55,1.56,;1.88,2.33,;1.88,3.87,;.55,4.64,;-.79,3.87,;-.79,2.33,;.55,6.18,;1.64,7.27,;-.94,6.58,;-2.03,5.49,;-1.34,8.06,)|
Structure:
Search PDB for entries with ligand similarity: