UCSF

ZINC03872983

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) 3.43 6.74 -21.68 2 8 0 95 467.481 2

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 25 0.30 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 114 0.28 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 25 0.30 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 114 0.28 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 25 0.30 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 114 0.28 Binding ≤ 10μM
KPCD1-3-E Protein Kinase C Mu (cluster #3 Of 3), Eukaryotic Eukaryotes 25 0.30 Binding ≤ 10μM
KPCD1-3-E Protein Kinase C Mu (cluster #3 Of 3), Eukaryotic Eukaryotes 114 0.28 Binding ≤ 10μM
KPCD3-3-E Protein Kinase C Nu (cluster #3 Of 3), Eukaryotic Eukaryotes 25 0.30 Binding ≤ 10μM
KPCD3-3-E Protein Kinase C Nu (cluster #3 Of 3), Eukaryotic Eukaryotes 114 0.28 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 25 0.30 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 114 0.28 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 25 0.30 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 114 0.28 Binding ≤ 10μM
KPCI-2-E Protein Kinase C Iota (cluster #2 Of 3), Eukaryotic Eukaryotes 25 0.30 Binding ≤ 10μM
KPCI-2-E Protein Kinase C Iota (cluster #2 Of 3), Eukaryotic Eukaryotes 114 0.28 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 25 0.30 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 114 0.28 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 25 0.30 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 114 0.28 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 25 0.30 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 114 0.28 Binding ≤ 10μM
MYLK-1-E Myosin Light Chain Kinase, Smooth Muscle (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.30 Binding ≤ 10μM
NTRK1-1-E Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.36 Binding ≤ 10μM
VGFR2-1-E Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 19 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MYLK_HUMAN Q15746 Myosin Light Chain Kinase, Smooth Muscle, Human 25 0.30 Binding ≤ 1μM
NTRK1_HUMAN P04629 Nerve Growth Factor Receptor Trk-A, Human 1.2 0.36 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 25 0.30 Binding ≤ 1μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 25 0.30 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 25 0.30 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 25 0.30 Binding ≤ 1μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 25 0.30 Binding ≤ 1μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 25 0.30 Binding ≤ 1μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 25 0.30 Binding ≤ 1μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 25 0.30 Binding ≤ 1μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 25 0.30 Binding ≤ 1μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 25 0.30 Binding ≤ 1μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 25 0.30 Binding ≤ 1μM
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 19 0.31 Binding ≤ 1μM
MYLK_HUMAN Q15746 Myosin Light Chain Kinase, Smooth Muscle, Human 25 0.30 Binding ≤ 10μM
NTRK1_HUMAN P04629 Nerve Growth Factor Receptor Trk-A, Human 1.2 0.36 Binding ≤ 10μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 25 0.30 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 25 0.30 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 25 0.30 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 25 0.30 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 25 0.30 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 25 0.30 Binding ≤ 10μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 25 0.30 Binding ≤ 10μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 25 0.30 Binding ≤ 10μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 25 0.30 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 25 0.30 Binding ≤ 10μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 25 0.30 Binding ≤ 10μM
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 19 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
Activation of NF-kappaB in B cells
Apoptotic cleavage of cellular proteins
ARMS-mediated activation
Ca2+ pathway
Calmodulin induced events
DAG and IP3 signaling
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
Downstream TCR signaling
Effects of PIP2 hydrolysis
EGFR Transactivation by Gastrin
EPHA-mediated growth cone collapse
FCERI mediated NF-kB activation
Frs2-mediated activation
G alpha (z) signalling events
GPVI-mediated activation cascade
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Integrin cell surface interactions
Interferon gamma signaling
Netrin-1 signaling
Neurophilin interactions with VEGF and VEGFR
NGF-independant TRKA activation
p75NTR recruits signalling complexes
PI3K/AKT activation
PLC-gamma1 signalling
Regulation of KIT signaling
Response to elevated platelet cytosolic Ca2+
Retrograde neurotrophin signalling
Role of phospholipids in phagocytosis
Signaling by SCF-KIT
Signalling to p38 via RIT and RIN
Signalling to RAS
Signalling to STAT3
Smooth Muscle Contraction
Sphingolipid de novo biosynthesis
Syndecan interactions
TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition)
Tight junction interactions
Trafficking of GluR2-containing AMPA receptors
TRKA activation by NGF
VEGF binds to VEGFR leading to receptor dimerization
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferation
WNT5A-dependent internalization of FZD4

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