UCSF

ZINC26384070

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 19 No

Popular Name: [2,2' [2,2'

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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) 4.75 8.91 -9.55 0 2 0 34 304.417 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-4-E Protein Kinase C Alpha (cluster #4 Of 6), Eukaryotic Eukaryotes 700 0.45 Binding ≤ 10μM
KPCB-2-E Protein Kinase C Beta (cluster #2 Of 4), Eukaryotic Eukaryotes 700 0.45 Binding ≤ 10μM
KPCD-3-E Protein Kinase C Delta (cluster #3 Of 4), Eukaryotic Eukaryotes 700 0.45 Binding ≤ 10μM
KPCE-3-E Protein Kinase C Epsilon (cluster #3 Of 5), Eukaryotic Eukaryotes 700 0.45 Binding ≤ 10μM
KPCG-4-E Protein Kinase C Gamma (cluster #4 Of 4), Eukaryotic Eukaryotes 700 0.45 Binding ≤ 10μM
KPCL-4-E Protein Kinase C Eta (cluster #4 Of 4), Eukaryotic Eukaryotes 700 0.45 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 700 0.45 Binding ≤ 10μM
KPCZ-3-E Protein Kinase C Zeta (cluster #3 Of 5), Eukaryotic Eukaryotes 700 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 700 0.45 Binding ≤ 1μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 700 0.45 Binding ≤ 1μM
KPCD_RAT P09215 Protein Kinase C Delta, Rat 700 0.45 Binding ≤ 1μM
KPCE_RAT P09216 Protein Kinase C Epsilon, Rat 700 0.45 Binding ≤ 1μM
KPCL_RAT Q64617 Protein Kinase C Eta, Rat 700 0.45 Binding ≤ 1μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 700 0.45 Binding ≤ 1μM
KPCT_RAT Q9WTQ0 Protein Kinase C Theta, Rat 700 0.45 Binding ≤ 1μM
KPCZ_RAT P09217 Protein Kinase C Zeta, Rat 700 0.45 Binding ≤ 1μM
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 700 0.45 Binding ≤ 10μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 700 0.45 Binding ≤ 10μM
KPCD_RAT P09215 Protein Kinase C Delta, Rat 700 0.45 Binding ≤ 10μM
KPCE_RAT P09216 Protein Kinase C Epsilon, Rat 700 0.45 Binding ≤ 10μM
KPCL_RAT Q64617 Protein Kinase C Eta, Rat 700 0.45 Binding ≤ 10μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 700 0.45 Binding ≤ 10μM
KPCT_RAT Q9WTQ0 Protein Kinase C Theta, Rat 700 0.45 Binding ≤ 10μM
KPCZ_RAT P09217 Protein Kinase C Zeta, Rat 700 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of NF-kappaB in B cells
Calmodulin induced events
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
Effects of PIP2 hydrolysis
G alpha (z) signalling events
GPVI-mediated activation cascade
Response to elevated platelet cytosolic Ca2+
TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition)
Trafficking of GluR2-containing AMPA receptors
VEGFR2 mediated cell proliferation
WNT5A-dependent internalization of FZD4

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

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