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
BDBM557801
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.459±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:
BDBM557801
Synonyms:
(1S,3′R,6′R,7′S,8′E,11′5,12′R)-6-CHLORO-7′-(CIS-5-(DIMETHYLAMINO)-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[8,16,18,24]TETRAEN]-15′-ONE 13′,13′-DIOXIDE | US11364248, Example 96
Type:
Small organic molecule
Emp. Form.:
C38H50ClN3O6S
Mol. Mass.:
712.338
SMILES:
C[C@H]1C\C=C\[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,t:3,(31.28,-12.6,;29.79,-13,;29.79,-11.46,;28.46,-10.69,;27.12,-11.46,;25.79,-10.69,;24.46,-11.46,;25.79,-12.23,;25.79,-13.77,;24.46,-13,;23.12,-13.77,;23.12,-15.31,;21.62,-15.65,;20.95,-17.04,;20.18,-18.38,;18.64,-18.38,;17.87,-17.04,;18.64,-15.71,;17.87,-14.37,;18.64,-13.04,;17.87,-11.71,;20.18,-13.04,;20.95,-14.37,;20.18,-15.71,;21.62,-18.43,;23.12,-18.77,;24.33,-17.81,;25.66,-18.58,;26.99,-17.81,;26.99,-16.27,;25.66,-15.5,;24.33,-16.27,;28.33,-15.5,;28.33,-13.96,;29.66,-16.27,;31,-15.5,;31.39,-16.99,;32.48,-15.1,;31,-13.96,;32.08,-12.87,;25.79,-9.15,;24.46,-8.38,;24.46,-6.84,;25.79,-6.07,;27.12,-6.84,;27.12,-8.38,;25.79,-4.53,;24.46,-3.76,;27.12,-3.76,)|
Structure:
Search PDB for entries with ligand similarity: