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
BDBM557731
Substrate
n/a
Meas. Tech.
Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)
IC50
0.370±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:
BDBM557731
Synonyms:
(1S,3'R,6'R,7'S,11'S,12'R)-6-chloro-7'-(trans- 5-(ethylamino)-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 | US11364248, Example 27
Type:
Small organic molecule
Emp. Form.:
C38H52ClN3O6S
Mol. Mass.:
714.354
SMILES:
CCN[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:46.48,43.46,9.9,13.14,15.16,6.6,wD:29.30,3.2,(-.79,8.28,;-.79,6.74,;.55,5.97,;.55,4.43,;-.79,3.66,;-.79,2.12,;.55,1.35,;1.88,2.12,;1.88,3.66,;.55,-.19,;1.88,-.96,;3.21,-.19,;4.55,-.96,;4.55,-2.5,;6.04,-2.11,;5.88,-3.27,;6.97,-2.19,;5.88,-4.81,;7.37,-4.42,;6.28,-6.3,;4.42,-5.77,;3.09,-5,;3.09,-3.46,;1.75,-5.77,;1.75,-7.31,;.42,-8.08,;-.92,-7.31,;-2.12,-8.28,;-3.62,-7.93,;-4.29,-6.54,;-5.06,-7.88,;-6.6,-7.88,;-7.37,-6.54,;-6.6,-5.21,;-7.37,-3.88,;-6.6,-2.54,;-7.37,-1.21,;-5.06,-2.54,;-4.29,-3.88,;-5.06,-5.21,;-3.62,-5.16,;-2.12,-4.81,;-2.12,-3.27,;-.79,-2.5,;.55,-3.27,;.55,-1.73,;-.79,-.96,;-.92,-5.77,;.42,-5,)|
Structure:
Search PDB for entries with ligand similarity: