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
BDBM557802
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.308±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:
BDBM557802
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 97
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:5.45,38.44,6.6,9.8,1.0,40.46,43.52,wD:13.14,t:3,(-19.08,-12.6,;-20.56,-13,;-20.56,-11.46,;-21.9,-10.69,;-23.23,-11.46,;-24.56,-10.69,;-25.9,-11.46,;-24.56,-12.23,;-24.56,-13.77,;-25.9,-13,;-27.23,-13.77,;-27.23,-15.31,;-28.73,-15.65,;-29.4,-17.04,;-30.17,-18.37,;-31.71,-18.37,;-32.48,-17.04,;-31.71,-15.71,;-32.48,-14.37,;-31.71,-13.04,;-32.48,-11.71,;-30.17,-13.04,;-29.4,-14.37,;-30.17,-15.71,;-28.73,-18.43,;-27.23,-18.77,;-26.03,-17.81,;-24.69,-18.58,;-23.36,-17.81,;-23.36,-16.27,;-24.69,-15.5,;-26.03,-16.27,;-22.03,-15.5,;-22.03,-13.96,;-20.69,-16.27,;-19.36,-15.5,;-18.96,-16.99,;-17.87,-15.1,;-19.36,-13.96,;-18.27,-12.87,;-24.56,-9.15,;-23.23,-8.38,;-23.23,-6.84,;-24.56,-6.07,;-25.9,-6.84,;-25.9,-8.38,;-24.56,-4.53,;-25.9,-3.76,;-23.23,-3.76,)|
Structure:
Search PDB for entries with ligand similarity: