UCSF

ZINC14947179

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 35 No

Popular Name: DNC009070 DNC009070

Find On: PubMed — Wikipedia — Google

Other Names:

Ac-VEID-CHO

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) -1.40 2.91 -114.84 4 13 -2 214 498.533 16 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASP6-1-E Caspase-6 (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASP6_HUMAN P55212 Caspase-6, Human 8 0.32 Binding ≤ 1μM
CASP6_HUMAN P55212 Caspase-6, Human 8 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Apoptotic cleavage of cellular proteins
Breakdown of the nuclear lamina
Caspase-mediated cleavage of cytoskeletal proteins

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

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