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
BDBM557724
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.444±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:
BDBM557724
Synonyms:
(1S,3'R,6'R,7'S,11'S,12'R)-6-chloro-11',12'- dimethyl-7'-(cis-5-(1-pyrrolidinyl)-1,3- dioxan-2-yl)-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 19 | US11364248, Example 22
Type:
Small organic molecule
Emp. Form.:
C40H54ClN3O6S
Mol. Mass.:
740.391
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)N1CCCC1 |r,wU:6.6,9.8,5.45,1.0,38.44,40.46,43.52,wD:13.14,(6.04,-2.14,;4.55,-2.53,;4.55,-.99,;3.21,-.22,;1.88,-.99,;.55,-.22,;-.79,-.99,;.55,-1.76,;.55,-3.3,;-.79,-2.53,;-2.12,-3.3,;-2.12,-4.84,;-3.62,-5.19,;-4.29,-6.57,;-5.06,-7.91,;-6.6,-7.91,;-7.37,-6.57,;-6.6,-5.24,;-7.37,-3.91,;-6.6,-2.57,;-7.37,-1.24,;-5.06,-2.57,;-4.29,-3.91,;-5.06,-5.24,;-3.62,-7.96,;-2.12,-8.31,;-.92,-7.34,;.42,-8.11,;1.75,-7.34,;1.75,-5.8,;.42,-5.03,;-.92,-5.8,;3.09,-5.03,;3.09,-3.49,;4.42,-5.8,;5.88,-4.84,;7.37,-4.45,;6.28,-6.33,;5.88,-3.3,;6.97,-2.22,;.55,1.32,;1.88,2.09,;1.88,3.63,;.55,4.4,;-.79,3.63,;-.79,2.09,;.55,5.94,;1.79,6.84,;1.32,8.31,;-.22,8.31,;-.7,6.84,)|
Structure:
Search PDB for entries with ligand similarity: