UCSF

ZINC28714327

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 34 No

Popular Name: (2S)-4-methyl-2-[(5Z)-4-oxo-5-[phenyl-(4-phenylphenyl)methylene]-2-thioxo-thiazolidin-3-yl]pentanoic (2S)-4-methyl-2-[(5Z)-4-oxo-5-[p…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.24 17.01 -55.65 0 4 -1 62 486.638 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
B2CL2-1-E Apoptosis Regulator Bcl-W (cluster #1 Of 1), Eukaryotic Eukaryotes 6980 0.21 Binding ≤ 10μM
BCL2-1-E Apoptosis Regulator Bcl-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 1950 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BCL2_HUMAN P10415 Apoptosis Regulator Bcl-2, Human 1950 0.24 Binding ≤ 10μM
B2CL2_HUMAN Q92843 Apoptosis Regulator Bcl-W, Human 6980 0.21 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of BAD and translocation to mitochondria
BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members
The NLRP1 inflammasome

Analogs ( Draw Identity 99% 90% 80% 70% )