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
BDBM557754
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.492±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:
BDBM557754
Synonyms:
(1S,3'R,6'R,7'R,11'S,12'R)-6-chloro-7'-(cis-5- (3-fluoro-1-azetidinyl)-1,3-dioxan-2-yl)- 11',12'-dimethyl-3,4-dihydro-2H,15'H- 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]-15'-one 13',13'-dioxide or | US11364248, Example 50 | US11364248, Example 51
Type:
Small organic molecule
Emp. Form.:
C39H51ClFN3O6S
Mol. Mass.:
744.355
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)C1OC[C@@H](CO1)N1CC(F)C1 |r,wU:6.6,9.8,5.45,1.0,38.44,43.52,wD:13.14,(6.01,-2.81,;4.52,-3.21,;4.52,-1.67,;3.19,-.9,;1.85,-1.67,;.52,-.9,;-.81,-1.67,;.52,-2.44,;.52,-3.98,;-.81,-3.21,;-2.15,-3.98,;-2.15,-5.52,;-3.65,-5.86,;-4.32,-7.25,;-5.09,-8.58,;-6.63,-8.58,;-7.4,-7.25,;-6.63,-5.92,;-7.4,-4.58,;-6.63,-3.25,;-7.4,-1.91,;-5.09,-3.25,;-4.32,-4.58,;-5.09,-5.92,;-3.65,-8.64,;-2.15,-8.98,;-.94,-8.02,;.39,-8.79,;1.73,-8.02,;1.73,-6.48,;.39,-5.71,;-.94,-6.48,;3.06,-5.71,;3.06,-4.17,;4.39,-6.48,;5.86,-5.52,;7.4,-5.52,;6.63,-6.85,;5.86,-3.98,;7.19,-3.21,;.52,.64,;1.85,1.41,;1.85,2.95,;.52,3.72,;-.81,2.95,;-.81,1.41,;.52,5.26,;1.61,6.35,;.52,7.44,;.52,8.98,;-.57,6.35,)|
Structure:
Search PDB for entries with ligand similarity: