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
BDBM557772
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.347±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:
BDBM557772
Synonyms:
(1S,3'R,6'R,7'S,11'S,12'R)-6-chloro-7'-(cis-5- (3-(dimethylamino)-1-azetidinyl)-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 67 | US11364248, Example 68
Type:
Small organic molecule
Emp. Form.:
C41H57ClN4O6S
Mol. Mass.:
769.432
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)N1CC(C1)N(C)C |r,wU:6.6,9.8,5.45,1.0,38.44,40.46,43.52,wD:13.14,(6.04,-3.2,;4.55,-3.59,;4.55,-2.05,;3.21,-1.28,;1.88,-2.05,;.55,-1.28,;-.79,-2.05,;.55,-2.82,;.55,-4.36,;-.79,-3.59,;-2.12,-4.36,;-2.12,-5.9,;-3.62,-6.25,;-4.29,-7.63,;-5.06,-8.97,;-6.6,-8.97,;-7.37,-7.63,;-6.6,-6.3,;-7.37,-4.97,;-6.6,-3.63,;-7.37,-2.3,;-5.06,-3.63,;-4.29,-4.97,;-5.06,-6.3,;-3.62,-9.02,;-2.12,-9.36,;-.92,-8.4,;.42,-9.17,;1.75,-8.4,;1.75,-6.86,;.42,-6.09,;-.92,-6.86,;3.09,-6.09,;3.09,-4.55,;4.42,-6.86,;5.88,-5.9,;7.37,-5.51,;6.28,-7.39,;5.88,-4.36,;6.97,-3.27,;.55,.26,;1.88,1.03,;1.88,2.57,;.55,3.34,;-.79,2.57,;-.79,1.03,;.55,4.88,;1.64,5.97,;.55,7.05,;-.54,5.97,;.55,8.59,;-.79,9.36,;1.88,9.36,)|
Structure:
Search PDB for entries with ligand similarity: