UCSF

ZINC03800021

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 24 No

Popular Name: HBDDE HBDDE

Find On: PubMed — Wikipedia — Google

CAS Number: 154675-18-0

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) 1.44 -6.33 -14.03 6 8 0 140 338.312 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCE-5-E Protein Kinase C Epsilon (cluster #5 Of 5), Eukaryotic Eukaryotes 108 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 175 0.39 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 175 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
DAG and IP3 signaling
Effects of PIP2 hydrolysis
G alpha (z) signalling events
Role of phospholipids in phagocytosis

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

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