Reaction Details
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Apoptosis regulator Bcl-2/Bcl2-associated agonist of cell death [103-127,M117N]
Ligand
BDBM562385
Substrate
n/a
Meas. Tech.
Protein-Protein Interaction Assay
IC50
14000±n/a nM
Citation
Furst, L; Serrano-Wu, MH; Lemke, C; McKinney, D; Fitzgerald, M; Nasveschuk, C; Lazarski, K; Ferrara, SJ; Wei, G; McCarren, PR; Thede, K; Mengel, A; Christ, C; Kuhnke, J; Johannes, SA; Buchgraber, P; Klar, U; Rauh, U; Kaulfuss, S; Fernandez-Montalvan, AE; Werbeck, N; Mönning, U; Nowak-Reppel, K Macrocyclic indole derivatives US Patent US11401278 Publication Date 8/2/2022 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:
BDBM562385
Synonyms:
(rac)-4-chloro-3,14-diethyl-7-{3-[(6-fluoro-1-naphthyl)oxy]propyl}-2-methyl-11,12,14,15-tetrahydro-2H,10H-pyrazolo[3′,4′:4,5][1,2,8]thiadiazacycloundecino[6,7,8-hi]indole-8-carboxylic acid 13,13-dioxide | US11401278, Example 56
Type:
Small organic molecule
Emp. Form.:
C34H36ClFN4O5S
Mol. Mass.:
667.19
SMILES:
CCN1Cc2nn(C)c(CC)c2-c2c(Cl)ccc3c(CCCOc4cccc5cc(F)ccc45)c(C(O)=O)n(CCCS1(=O)=O)c23
Structure:
