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
BDBM557794
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.453±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:
BDBM557794
Synonyms:
(1S,3'R,6'R,7'S,11'S,12'R)-6-chloro-7'-(cis-5- (dimethylamino)-5-methyl-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 89 | US11364248, Example 90
Type:
Small organic molecule
Emp. Form.:
C39H54ClN3O6S
Mol. Mass.:
728.381
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@](C)(CO1)N(C)C |r,wU:6.6,5.45,38.44,43.49,wD:13.14,9.8,40.52,1.0,43.53,(-6.29,-2.81,;-5.43,-1.53,;-3.89,-1.64,;-3.22,-3.03,;-1.68,-3.14,;-1.01,-4.53,;.53,-4.64,;1.8,-5.5,;2.66,-4.22,;1.39,-3.36,;.72,-1.98,;1.58,-.7,;3.08,-1.04,;4.28,-.07,;5.55,.8,;6.94,.13,;7.06,-1.4,;5.79,-2.27,;7.7,-1.28,;7.07,-.51,;8.21,1.01,;5.68,.16,;4.41,-.72,;4.4,-1.61,;4.28,1.47,;3.07,2.42,;1.57,2.08,;.7,3.34,;-.84,3.22,;-1.3,2.18,;-.63,.8,;.91,.69,;-2.84,2.29,;-3.51,3.68,;-3.7,1.02,;-5.24,1.13,;-6.48,2.03,;-5.18,2.66,;-6.1,-.15,;-7.64,-.04,;-1.87,-5.8,;-3.41,-5.69,;-4.27,-6.97,;-3.6,-8.35,;-3.76,-9.88,;-2.06,-8.46,;-1.2,-7.19,;-4.96,-9.07,;-5.02,-10.61,;-6.27,-8.25,)|
Structure:
Search PDB for entries with ligand similarity: