UCSF

ZINC13672581

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 26 No

Popular Name: (3E,5R)-5-(2,2-dimethylpropoxymethyl)-5-(hydroxymethyl)-3-(3-isobutyl-5-methyl-hexylidene)tetrahydro (3E,5R)-5-(2,2-dimethylpropoxyme…

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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) 4.33 11.61 -12.95 1 4 0 56 368.558 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCD-2-E Protein Kinase C Delta (cluster #2 Of 4), Eukaryotic Eukaryotes 1890 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 1890 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Apoptotic cleavage of cellular proteins
Calmodulin induced events
DAG and IP3 signaling
Effects of PIP2 hydrolysis
G alpha (z) signalling events
HuR stabilizes mRNA
Interferon gamma signaling
Role of phospholipids in phagocytosis
VEGFR2 mediated cell proliferation

Rings

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

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