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
BDBM557786
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.448±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:
BDBM557786
Synonyms:
(1S,3'R,6'R,7'S,11'S,12'R)-6-chloro-7'-(cis-5- (dimethylamino)-5-(hydroxymethyl)-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 81 | US11364248, Example 86
Type:
Small organic molecule
Emp. Form.:
C39H54ClN3O7S
Mol. Mass.:
744.38
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@](CO)(CO1)N(C)C |r,wU:6.6,5.45,43.49,38.44,wD:13.14,9.8,40.53,1.0,43.54,(-6.21,-2.5,;-5.35,-1.22,;-3.81,-1.33,;-3.14,-2.72,;-1.6,-2.83,;-.93,-4.22,;.61,-4.33,;1.88,-5.19,;2.74,-3.91,;1.47,-3.05,;.8,-1.67,;1.66,-.39,;3.16,-.73,;4.36,.24,;5.63,1.11,;7.02,.44,;7.14,-1.09,;5.87,-1.96,;7.78,-.97,;7.15,-.2,;8.29,1.32,;5.76,.47,;4.49,-.41,;4.48,-1.3,;4.36,1.78,;3.15,2.73,;1.65,2.38,;.78,3.65,;-.76,3.53,;-1.22,2.49,;-.55,1.11,;.99,1,;-2.76,2.6,;-3.43,3.99,;-3.62,1.33,;-5.16,1.44,;-6.4,2.34,;-5.1,2.97,;-6.02,.16,;-7.56,.27,;-1.79,-5.49,;-3.33,-5.38,;-4.19,-6.66,;-3.52,-8.04,;-3.68,-9.57,;-2.44,-10.48,;-1.98,-8.15,;-1.12,-6.88,;-4.88,-8.76,;-6.19,-7.94,;-4.94,-10.3,)|
Structure:
Search PDB for entries with ligand similarity: