UCSF

ZINC04867554

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 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) 2.78 8.15 -9.16 0 4 0 56 276.295 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DAPK1-1-E Death-associated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.40 Binding ≤ 10μM
DAPK3-1-E Death-associated Protein Kinase 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DAPK1_HUMAN P53355 Death-associated Protein Kinase 1, Human 1000 0.40 Binding ≤ 1μM
DAPK3_HUMAN O43293 Death-associated Protein Kinase 3, Human 1000 0.40 Binding ≤ 1μM
DAPK1_HUMAN P53355 Death-associated Protein Kinase 1, Human 1000 0.40 Binding ≤ 10μM
DAPK3_HUMAN O43293 Death-associated Protein Kinase 3, Human 1000 0.40 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Role of DCC in regulating apoptosis

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