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
BDBM557778
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.196±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:
BDBM557778
Synonyms:
(1S,3'R,6'S,7'S,12'R)-6-chloro-7'-(cis-5- (dimethylamino)-1,3-dioxan-2-yl)-12'-ethyl- 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 73 | US11364248, Example 74
Type:
Small organic molecule
Emp. Form.:
C38H52ClN3O6S
Mol. Mass.:
714.354
SMILES:
CC[C@@H]1CCCC[C@@H]([C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)NS1(=O)=O)[C@@H]1OC[C@@H](CO1)N(C)C |r,wU:8.8,11.10,7.45,2.1,40.46,43.52,wD:15.16,(7.91,-1.97,;6.43,-1.58,;5.34,-2.66,;4,-1.89,;4,-.35,;2.67,.42,;1.34,-.35,;0,.42,;-1.33,-.35,;0,-1.12,;0,-2.66,;-1.33,-1.89,;-2.66,-2.66,;-2.66,-4.2,;-4.17,-4.55,;-4.83,-5.93,;-5.6,-7.27,;-7.14,-7.27,;-7.91,-5.93,;-7.14,-4.6,;-7.91,-3.27,;-7.14,-1.93,;-7.91,-.6,;-5.6,-1.93,;-4.83,-3.27,;-5.6,-4.6,;-4.17,-7.32,;-2.66,-7.66,;-1.46,-6.7,;-.13,-7.47,;1.21,-6.7,;1.21,-5.16,;-.13,-4.39,;-1.46,-5.16,;2.54,-4.39,;2.54,-2.85,;3.87,-5.16,;5.34,-4.2,;6.83,-3.81,;5.74,-5.69,;0,1.96,;1.34,2.73,;1.34,4.27,;0,5.04,;-1.33,4.27,;-1.33,2.73,;0,6.58,;1.09,7.66,;-1.48,6.97,)|
Structure:
Search PDB for entries with ligand similarity: