UCSF

ZINC29315923

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 49 No

Popular Name: DNC011706 DNC011706

Find On: PubMed — Wikipedia — Google

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) 4.43 15.01 -92.13 4 10 2 104 703.931 12 ↓
Hi High (pH 8-9.5) 4.43 12.54 -50.13 3 10 1 102 702.923 12 ↓
Hi High (pH 8-9.5) 4.43 12.54 -57.53 3 10 1 102 702.923 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 1600 0.17 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 1600 0.17 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 1600 0.17 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 1600 0.17 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 1600 0.17 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 1600 0.17 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 1600 0.17 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 1600 0.17 Binding ≤ 10μM
M3K11-1-E Mitogen-activated Protein Kinase Kinase Kinase 11 (cluster #1 Of 1), Eukaryotic Eukaryotes 123 0.20 Binding ≤ 10μM
M3K9-1-E Mitogen-activated Protein Kinase Kinase Kinase 9 (cluster #1 Of 1), Eukaryotic Eukaryotes 360 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
M3K11_HUMAN Q16584 Mitogen-activated Protein Kinase Kinase Kinase 11, Human 123 0.20 Binding ≤ 1μM
M3K9_HUMAN P80192 Mitogen-activated Protein Kinase Kinase Kinase 9, Human 360 0.18 Binding ≤ 1μM
M3K11_HUMAN Q16584 Mitogen-activated Protein Kinase Kinase Kinase 11, Human 123 0.20 Binding ≤ 10μM
M3K9_HUMAN P80192 Mitogen-activated Protein Kinase Kinase Kinase 9, Human 360 0.18 Binding ≤ 10μM
KPCA_RAT P05696 Protein Kinase C Alpha, Rat 1600 0.17 Binding ≤ 10μM
KPCB_RAT P68403 Protein Kinase C Beta, Rat 1600 0.17 Binding ≤ 10μM
KPCD_RAT P09215 Protein Kinase C Delta, Rat 1600 0.17 Binding ≤ 10μM
KPCE_RAT P09216 Protein Kinase C Epsilon, Rat 1600 0.17 Binding ≤ 10μM
KPCL_RAT Q64617 Protein Kinase C Eta, Rat 1600 0.17 Binding ≤ 10μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 1600 0.17 Binding ≤ 10μM
KPCT_RAT Q9WTQ0 Protein Kinase C Theta, Rat 1600 0.17 Binding ≤ 10μM
KPCZ_RAT P09217 Protein Kinase C Zeta, Rat 1600 0.17 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.