UCSF

ZINC13925582

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 22 No

Popular Name: (4Z)-2-(4-nitrophenyl)-4-(3-pyridylmethylene)oxazol-5-one (4Z)-2-(4-nitrophenyl)-4-(3-pyri…

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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) 2.04 7.72 -11.25 0 7 0 102 295.254 3 ↓
Lo Low (pH 4.5-6) 2.04 7.99 -50.45 1 7 1 103 296.262 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DAPK3-1-E Death-associated Protein Kinase 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 291 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DAPK3_HUMAN O43293 Death-associated Protein Kinase 3, Human 291.2 0.42 Binding ≤ 1μM
DAPK3_HUMAN O43293 Death-associated Protein Kinase 3, Human 291.2 0.42 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Role of DCC in regulating apoptosis

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

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