Reaction Details
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Apoptosis regulator Bcl-2/Bcl2-associated agonist of cell death [103-127,M117N]
Ligand
BDBM572180
Substrate
n/a
Meas. Tech.
BCL-2/Bad BH3 Peptide (BCL-2 Assay)
IC50
16000±n/a nM
Citation
Thede, K; Mengel, A; Christ, C; Kuhnke, J; Johannes, SA; Buchgraber, P; Klar, U; Rauh, U; Kaulfuss, S; Fernandez-Montalvan, AE; Werbeck, N; Moenning, U; Nowak-Reppel, K; Lemke, C; Serrano-Wu, MH; McKinney, D; Fitzgerald, M; Nasveschuk, C; Lazarski, K; Ferrara, SJ; Furst, L; Wei, G; McCarren, PR; Harvey, RA; Payne, D; Pesnot, T; Wilson, C Macrocyclic chlorine substituted indole derivatives US Patent US11478451 Publication Date 10/25/2022 More Info.:
Target
Name:
Apoptosis regulator Bcl-2/Bcl2-associated agonist of cell death [103-127,M117N]
Synonyms:
BCL-2/Bad BH3
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Apoptosis regulator Bcl-2
Synonyms:
Apoptosis regulator Bcl-2 Protein | B-cell lymphoma 2 protein (Bcl-2) | BCL-2 | BCL2 | BCL2_HUMAN | Bcl-2 Protein
Type:
Homodimer or heterodimer
Mol. Mass.:
26269.11
Organism:
Homo sapiens (Human)
Description:
P10415
Residue:
239
Sequence:
MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTSPLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLFDFSWLSLKTLLSLALVGACITLGAYLGHK
Component 2
Name:
Bcl2-associated agonist of cell death [103-127,M117N]
Synonyms:
BAD | BAD_HUMAN | BBC6 | BCL2L8 | cl2-associated agonist of cell death (BAD)(BH3)
Type:
n/a
Mol. Mass.:
3088.39
Organism:
Homo sapiens (Human)
Description:
Q92934[103-127,M117N]
Residue:
25
Sequence:
NLWAAQRYGRELRRNSDEFVDSFKK
Inhibitor
Name:
BDBM572180
Synonyms:
(rac)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-1-methyl-1,10,11,12,13,15-hexahydropyrazolo[4′,3′:9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic Acid | US11447504, Example 33 | US11478451, Example 35
Type:
Small organic molecule
Emp. Form.:
C33H33ClFN3O4
Mol. Mass.:
590.084
SMILES:
CCc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(Cl)c(-c12)c34
Structure:
