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
BDBM557744
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.577±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:
BDBM557744
Synonyms:
(1S,3'R,6'R,7'S,11'S,12'R)-7'-(cis-5-amino-5- (hydroxymethyl)-1,3-dioxan-2-yl)-6-chloro- 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 40
Type:
Small organic molecule
Emp. Form.:
C37H50ClN3O7S
Mol. Mass.:
716.327
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@](N)(CO)CO1 |r,wU:6.6,9.8,5.45,1.0,38.44,40.54,43.49,wD:13.14,43.50,(6.04,-1.37,;4.55,-1.76,;4.55,-.22,;3.21,.55,;1.88,-.22,;.55,.55,;-.79,-.22,;.55,-.99,;.55,-2.53,;-.79,-1.76,;-2.12,-2.53,;-2.12,-4.07,;-3.62,-4.42,;-4.29,-5.8,;-5.06,-7.14,;-6.6,-7.14,;-7.37,-5.8,;-6.6,-4.47,;-7.37,-3.14,;-6.6,-1.8,;-7.37,-.47,;-5.06,-1.8,;-4.29,-3.14,;-5.06,-4.47,;-3.62,-7.19,;-2.12,-7.54,;-.92,-6.57,;.42,-7.34,;1.75,-6.57,;1.75,-5.03,;.42,-4.26,;-.92,-5.03,;3.09,-4.26,;3.09,-2.72,;4.42,-5.03,;5.88,-4.07,;7.37,-3.68,;6.28,-5.56,;5.88,-2.53,;6.97,-1.45,;.55,2.09,;-.79,2.86,;-.79,4.4,;.55,5.17,;-.7,6.07,;1.79,6.07,;1.32,7.54,;1.88,4.4,;1.88,2.86,)|
Structure:
Search PDB for entries with ligand similarity: