UCSF

ZINC03776578

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 35 No

Popular Name: K-252a, 98% K-252a, 98%

Find On: PubMed — Wikipedia — Google

CAS Number: 97161-97-2

Other Names:

MFCD00161522

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) 3.43 -4.78 -19.77 2 8 0 94 467.481 2 ↓

Vendor Notes

Note Type Comments Provided By
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCC1A-1-E CaM Kinase I Alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 270 0.26 Binding ≤ 10μM
KCC2A-1-E CaM Kinase II Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 270 0.26 Binding ≤ 10μM
KCC2B-1-E CaM Kinase II Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 270 0.26 Binding ≤ 10μM
KCC2D-1-E CaM Kinase II Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 270 0.26 Binding ≤ 10μM
KCC2G-1-E CaM Kinase II Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 270 0.26 Binding ≤ 10μM
KCC4-1-E CaM Kinase IV (cluster #1 Of 1), Eukaryotic Eukaryotes 270 0.26 Binding ≤ 10μM
KPB1-1-E Phosphorylase Kinase Alpha M Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
KPB2-1-E Phosphorylase Kinase Alpha L Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
KPBB-1-E Phosphorylase Kinase Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 60 0.29 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 60 0.29 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 60 0.29 Binding ≤ 10μM
KPCD1-3-E Protein Kinase C Mu (cluster #3 Of 3), Eukaryotic Eukaryotes 60 0.29 Binding ≤ 10μM
KPCD3-3-E Protein Kinase C Nu (cluster #3 Of 3), Eukaryotic Eukaryotes 60 0.29 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 60 0.29 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 470 0.25 Binding ≤ 10μM
KPCI-2-E Protein Kinase C Iota (cluster #2 Of 3), Eukaryotic Eukaryotes 60 0.29 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 60 0.29 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 60 0.29 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 60 0.29 Binding ≤ 10μM
PHKG1-1-E Phosphorylase Kinase Gamma Subunit 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
PHKG2-1-E Phosphorylase Kinase Gamma Subunit 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCC1A_HUMAN Q14012 CaM Kinase I Alpha, Human 270 0.26 Binding ≤ 1μM
KCC2A_HUMAN Q9UQM7 CaM Kinase II Alpha, Human 270 0.26 Binding ≤ 1μM
KCC2B_HUMAN Q13554 CaM Kinase II Beta, Human 270 0.26 Binding ≤ 1μM
KCC2D_HUMAN Q13557 CaM Kinase II Delta, Human 270 0.26 Binding ≤ 1μM
KCC2G_HUMAN Q13555 CaM Kinase II Gamma, Human 270 0.26 Binding ≤ 1μM
KCC4_HUMAN Q16566 CaM Kinase IV, Human 270 0.26 Binding ≤ 1μM
KPB2_HUMAN P46019 Phosphorylase Kinase Alpha L Subunit, Human 1.7 0.35 Binding ≤ 1μM
KPB1_HUMAN P46020 Phosphorylase Kinase Alpha M Subunit, Human 1.7 0.35 Binding ≤ 1μM
KPBB_HUMAN Q93100 Phosphorylase Kinase Beta Subunit, Human 1.7 0.35 Binding ≤ 1μM
PHKG1_HUMAN Q16816 Phosphorylase Kinase Gamma Subunit 1, Human 1.7 0.35 Binding ≤ 1μM
PHKG2_HUMAN P15735 Phosphorylase Kinase Gamma Subunit 2, Human 1.7 0.35 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 60 0.29 Binding ≤ 1μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 60 0.29 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 60 0.29 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 60 0.29 Binding ≤ 1μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 60 0.29 Binding ≤ 1μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 60 0.29 Binding ≤ 1μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 470 0.25 Binding ≤ 1μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 60 0.29 Binding ≤ 1μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 60 0.29 Binding ≤ 1μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 60 0.29 Binding ≤ 1μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 60 0.29 Binding ≤ 1μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 60 0.29 Binding ≤ 1μM
KCC1A_HUMAN Q14012 CaM Kinase I Alpha, Human 270 0.26 Binding ≤ 10μM
KCC2A_HUMAN Q9UQM7 CaM Kinase II Alpha, Human 270 0.26 Binding ≤ 10μM
KCC2B_HUMAN Q13554 CaM Kinase II Beta, Human 270 0.26 Binding ≤ 10μM
KCC2D_HUMAN Q13557 CaM Kinase II Delta, Human 270 0.26 Binding ≤ 10μM
KCC2G_HUMAN Q13555 CaM Kinase II Gamma, Human 270 0.26 Binding ≤ 10μM
KCC4_HUMAN Q16566 CaM Kinase IV, Human 270 0.26 Binding ≤ 10μM
KPB2_HUMAN P46019 Phosphorylase Kinase Alpha L Subunit, Human 1.7 0.35 Binding ≤ 10μM
KPB1_HUMAN P46020 Phosphorylase Kinase Alpha M Subunit, Human 1.7 0.35 Binding ≤ 10μM
KPBB_HUMAN Q93100 Phosphorylase Kinase Beta Subunit, Human 1.7 0.35 Binding ≤ 10μM
PHKG1_HUMAN Q16816 Phosphorylase Kinase Gamma Subunit 1, Human 1.7 0.35 Binding ≤ 10μM
PHKG2_HUMAN P15735 Phosphorylase Kinase Gamma Subunit 2, Human 1.7 0.35 Binding ≤ 10μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 60 0.29 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 60 0.29 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 60 0.29 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 60 0.29 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 60 0.29 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 60 0.29 Binding ≤ 10μM
KPCG_RAT P63319 Protein Kinase C Gamma, Rat 470 0.25 Binding ≤ 10μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 60 0.29 Binding ≤ 10μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 60 0.29 Binding ≤ 10μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 60 0.29 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 60 0.29 Binding ≤ 10μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 60 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
Activation of CaMK IV
Activation of NF-kappaB in B cells
Apoptotic cleavage of cellular proteins
Ca2+ pathway
Calmodulin induced events
CaMK IV-mediated phosphorylation of CREB
CREB phosphorylation through the activation of CaMKII
CREB phosphorylation through the activation of CaMKK
CREB phosphorylation through the activation of Ras
DAG and IP3 signaling
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
Downstream TCR signaling
Effects of PIP2 hydrolysis
EGFR Transactivation by Gastrin
FCERI mediated NF-kB activation
G alpha (z) signalling events
Glycogen breakdown (glycogenolysis)
GPVI-mediated activation cascade
HSF1-dependent transactivation
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Interferon gamma signaling
Netrin-1 signaling
p75NTR recruits signalling complexes
Ras activation uopn Ca2+ infux through NMDA receptor
Regulation of KIT signaling
Response to elevated platelet cytosolic Ca2+
Role of phospholipids in phagocytosis
Signaling by SCF-KIT
Sphingolipid de novo biosynthesis
Syndecan interactions
TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition)
Tight junction interactions
Trafficking of AMPA receptors
Trafficking of GluR2-containing AMPA receptors
Transcriptional activation of mitochondrial biogenesis
Unblocking of NMDA receptor, glutamate binding and activation
VEGFR2 mediated cell proliferation
WNT5A-dependent internalization of FZD4

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