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
BDBM557774
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.535±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:
BDBM557774
Synonyms:
(1S,3'R,6'R,7'S,11'S,12'R)-6-chloro-7'-(cis-5- (cyclopropyl(methyl)amino)-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 69 | US11364248, Example 70
Type:
Small organic molecule
Emp. Form.:
C40H54ClN3O6S
Mol. Mass.:
740.391
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](CO1)N(C)C1CC1 |r,wU:6.6,9.8,5.45,1.0,38.44,40.46,43.52,wD:13.14,(6.04,-1.69,;4.55,-2.09,;4.55,-.55,;3.21,.22,;1.88,-.55,;.55,.22,;-.79,-.55,;.55,-1.32,;.55,-2.86,;-.79,-2.09,;-2.12,-2.86,;-2.12,-4.4,;-3.62,-4.74,;-4.29,-6.13,;-5.06,-7.47,;-6.6,-7.47,;-7.37,-6.13,;-6.6,-4.8,;-7.37,-3.46,;-6.6,-2.13,;-7.37,-.8,;-5.06,-2.13,;-4.29,-3.46,;-5.06,-4.8,;-3.62,-7.52,;-2.12,-7.86,;-.92,-6.9,;.42,-7.67,;1.75,-6.9,;1.75,-5.36,;.42,-4.59,;-.92,-5.36,;3.09,-4.59,;3.09,-3.05,;4.42,-5.36,;5.88,-4.4,;7.37,-4,;6.28,-5.89,;5.88,-2.86,;6.97,-1.77,;.55,1.76,;1.88,2.53,;1.88,4.07,;.55,4.84,;-.79,4.07,;-.79,2.53,;.55,6.38,;1.64,7.47,;-.94,6.78,;-2.03,7.86,;-2.43,6.37,)|
Structure:
Search PDB for entries with ligand similarity: