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
BDBM557796
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.184±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:
BDBM557796
Synonyms:
(1S,3'R,6'R,7'S,11'S,12'S)-6-chloro-7'-(cis-5- (dimethylamino)-1,3-dioxan-2-yl)-12'- (methoxymethyl)-11'-methyl-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 91 | US11364248, Example 92
Type:
Small organic molecule
Emp. Form.:
C39H54ClN3O7S
Mol. Mass.:
744.38
SMILES:
COC[C@@H]1[C@@H](C)CCC[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:10.10,13.12,9.47,42.48,45.54,4.4,3.2,wD:17.18,(8.63,-1.89,;7.29,-2.66,;5.96,-1.89,;4.63,-2.66,;3.29,-1.89,;4.63,-1.12,;3.29,-.35,;1.96,.42,;.62,-.35,;-.71,.42,;-2.04,-.35,;-.71,-1.12,;-.71,-2.66,;-2.04,-1.89,;-3.38,-2.66,;-3.38,-4.2,;-4.88,-4.55,;-5.55,-5.93,;-6.32,-7.27,;-7.86,-7.27,;-8.63,-5.93,;-7.86,-4.6,;-8.63,-3.27,;-7.86,-1.93,;-8.63,-.6,;-6.32,-1.93,;-5.55,-3.27,;-6.32,-4.6,;-4.88,-7.32,;-3.38,-7.66,;-2.17,-6.7,;-.84,-7.47,;.49,-6.7,;.49,-5.16,;-.84,-4.39,;-2.17,-5.16,;1.83,-4.39,;1.83,-2.85,;3.16,-5.16,;4.63,-4.2,;6.11,-3.81,;5.02,-5.69,;-.71,1.96,;.62,2.73,;.62,4.27,;-.71,5.04,;-2.04,4.27,;-2.04,2.73,;-.71,6.58,;.38,7.66,;-2.2,6.97,)|
Structure:
Search PDB for entries with ligand similarity: