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
BDBM557715
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.290±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:
BDBM557715
Synonyms:
(1S,3'R,6'R,7'S,11'S,12'R)-6-chloro-7'-(trans- 5-hydroxy-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 11 | US11364248, Example 12 | US11364248, Example 13 | US11364248, Example 14
Type:
Small organic molecule
Emp. Form.:
C36H47ClN2O7S
Mol. Mass.:
687.286
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](O)CO1 |r,wU:6.6,9.8,5.45,1.0,38.44,40.52,wD:13.14,43.49,(6.04,-.95,;4.55,-1.35,;4.55,.19,;3.21,.96,;1.88,.19,;.55,.96,;-.79,.19,;.55,-.58,;.55,-2.12,;-.79,-1.35,;-2.12,-2.12,;-2.12,-3.66,;-3.62,-4,;-4.29,-5.39,;-5.06,-6.72,;-6.6,-6.72,;-7.37,-5.39,;-6.6,-4.06,;-7.37,-2.72,;-6.6,-1.39,;-7.37,-.06,;-5.06,-1.39,;-4.29,-2.72,;-5.06,-4.06,;-3.62,-6.78,;-2.12,-7.12,;-.92,-6.16,;.42,-6.93,;1.75,-6.16,;1.75,-4.62,;.42,-3.85,;-.92,-4.62,;3.09,-3.85,;3.09,-2.31,;4.42,-4.62,;5.88,-3.66,;7.37,-3.26,;6.28,-5.15,;5.88,-2.12,;6.97,-1.03,;.55,2.5,;-.79,3.27,;-.79,4.81,;.55,5.58,;.55,7.12,;1.88,4.81,;1.88,3.27,)|
Structure:
Search PDB for entries with ligand similarity: