UCSF

ZINC05011558

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 19 No

Popular Name: 2-phenyl-4-(3-pyridylmethylene)oxazol-5-one 2-phenyl-4-(3-pyridylmethylene)o…

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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) 2.08 7.04 -9.09 0 4 0 56 250.257 2 ↓
Lo Low (pH 4.5-6) 2.08 7.32 -43.82 1 4 1 57 251.265 2 ↓

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 583 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DAPK3_HUMAN O43293 Death-associated Protein Kinase 3, Human 583 0.46 Binding ≤ 1μM
DAPK3_HUMAN O43293 Death-associated Protein Kinase 3, Human 583 0.46 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Role of DCC in regulating apoptosis

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