UCSF

ZINC02276110

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2004 20 Yes

Popular Name: Apoptosis Activator 2 Apoptosis Activator 2

Find On: PubMed — Wikipedia — Google

CAS Numbers: 79183-19-0 , [79183-19-0]

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) 3.78 8.85 -14.72 0 3 0 39 306.148 2 ↓

Vendor Notes

Note Type Comments Provided By
biological_use Anticancer agent ZereneX Building Blocks IBScreen Bioactives
mechanism Apoptosis activator IBScreen Bioactives
Target Caspase Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EST1-1-E Carboxylesterase (cluster #1 Of 7), Eukaryotic Eukaryotes 31 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EST1_HUMAN P23141 Acyl Coenzyme A:cholesterol Acyltransferase, Human 31 0.53 Binding ≤ 1μM
EST1_HUMAN P23141 Acyl Coenzyme A:cholesterol Acyltransferase, Human 31 0.53 Binding ≤ 10μM

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