UCSF

ZINC04588415

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 21 No

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) 2.11 1.1 -10.92 0 5 0 65 280.283 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 395 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DAPK3_HUMAN O43293 Death-associated Protein Kinase 3, Human 395.3 0.43 Binding ≤ 1μM
DAPK3_HUMAN O43293 Death-associated Protein Kinase 3, Human 395.3 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Role of DCC in regulating apoptosis

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