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
BDBM557752
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.590±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:
BDBM557752
Synonyms:
(1S,3'R,6'R,7'S,11'S,12'R)-6-chloro-11',12'- dimethyl-7'-(trans-5-(methylamino)-1,3- dioxan-2-yl)-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 48 | US11364248, Example 49
Type:
Small organic molecule
Emp. Form.:
C37H50ClN3O6S
Mol. Mass.:
700.327
SMILES:
CN[C@H]1CO[C@@H](OC1)[C@H]1CCC[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,wU:45.47,42.45,8.8,12.13,14.15,5.5,wD:28.29,2.1,(1.64,7.66,;.55,6.58,;.55,5.04,;-.79,4.27,;-.79,2.73,;.55,1.96,;1.88,2.73,;1.88,4.27,;.55,.42,;1.88,-.35,;3.21,.42,;4.55,-.35,;4.55,-1.89,;6.04,-1.5,;5.88,-2.66,;6.97,-1.58,;5.88,-4.2,;7.37,-3.81,;6.28,-5.69,;4.42,-5.16,;3.09,-4.39,;3.09,-2.85,;1.75,-5.16,;1.75,-6.7,;.42,-7.47,;-.92,-6.7,;-2.12,-7.66,;-3.62,-7.32,;-4.29,-5.93,;-5.06,-7.27,;-6.6,-7.27,;-7.37,-5.93,;-6.6,-4.6,;-7.37,-3.27,;-6.6,-1.93,;-7.37,-.6,;-5.06,-1.93,;-4.29,-3.27,;-5.06,-4.6,;-3.62,-4.55,;-2.12,-4.2,;-2.12,-2.66,;-.79,-1.89,;.55,-2.66,;.55,-1.12,;-.79,-.35,;-.92,-5.16,;.42,-4.39,)|
Structure:
Search PDB for entries with ligand similarity: