Reaction Details
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Apoptosis regulator Bcl-2/Bcl2-associated agonist of cell death [103-127,M117N]
Ligand
BDBM562349
Substrate
n/a
Meas. Tech.
Protein-Protein Interaction Assay
IC50
>20000±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:
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:
Human
Description:
Q92934[103-127,M117N]
Residue:
25
Sequence:
NLWAAQRYGRELRRNSDEFVDSFKK
Inhibitor
Name:
BDBM562349
Synonyms:
(rac)-13-Chloro-1-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-12-ethyl-8,11-dimethyl-4,5,6,8,9,11-hexahydropyrazolo[3′,4′:4,5][1,2,8]thiadiazacycloundecino[6,7,8-hi]indole-2-carboxylic acid 7,7-dioxide | US11401278, Example 22
Type:
Small organic molecule
Emp. Form.:
C31H36Cl2N4O5S
Mol. Mass.:
647.612
SMILES:
CCc1c-2c(CN(C)S(=O)(=O)CCCn3c(C(O)=O)c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c-2c34)nn1C
Structure:
