UCSF

ZINC01788203

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 26 No

Popular Name: (2S)-2-[(5Z)-5-(4-bromobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-3-phenyl-propionate (2S)-2-[(5Z)-5-(4-bromobenzylide…

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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) 3.74 -0.89 -58.02 0 4 -1 62 447.355 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BAD-1-E Bcl2-antagonist Of Cell Death (BAD) (cluster #1 Of 1), Eukaryotic Eukaryotes 5250 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BAD_HUMAN Q92934 Bcl2-antagonist Of Cell Death (BAD), Human 5250 0.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of BAD and translocation to mitochondria
AKT phosphorylates targets in the cytosol
BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members
Constitutive PI3K/AKT Signaling in Cancer
NRAGE signals death through JNK

Rings

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

No pre-computed analogs available. Try a structural similarity search.