UCSF

ZINC03871640

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 40 No

Other Names:

DNC003686

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) 3.01 2.97 -85.5 7 12 0 210 550.52 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AKAP1-1-E Protein Kinase A Anchoring Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.26 Binding ≤ 10μM
AKAP1-1-E Protein Kinase A Anchoring Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.25 Binding ≤ 10μM
AKAP2-1-E Protein Kinase A Anchoring Protein 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.26 Binding ≤ 10μM
AKAP2-1-E Protein Kinase A Anchoring Protein 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.25 Binding ≤ 10μM
ARBK1-1-E G-protein Coupled Receptor Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 42 0.26 Binding ≤ 10μM
ARBK2-1-E Beta-adrenergic Receptor Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 47 0.26 Binding ≤ 10μM
CSK21-1-E Casein Kinase II Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 30 0.26 Binding ≤ 10μM
CSK2B-1-E Casein Kinase II Beta (cluster #1 Of 3), Eukaryotic Eukaryotes 30 0.26 Binding ≤ 10μM
GRK4-1-E G Protein-coupled Receptor Kinase 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 260 0.23 Binding ≤ 10μM
GRK5-1-E G Protein-coupled Receptor Kinase 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.24 Binding ≤ 10μM
GRK6-1-E G Protein-coupled Receptor Kinase 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 490 0.22 Binding ≤ 10μM
GRK7-1-E G Protein-coupled Receptor Kinase 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 180 0.24 Binding ≤ 10μM
KAPCA-1-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic Eukaryotes 50 0.26 Binding ≤ 10μM
KAPCA-1-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic Eukaryotes 80 0.25 Binding ≤ 10μM
KAPCA-1-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic Eukaryotes 790 0.21 Binding ≤ 10μM
KAPCB-1-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 5 0.29 Binding ≤ 10μM
KAPCB-1-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 80 0.25 Binding ≤ 10μM
KAPCB-1-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 790 0.21 Binding ≤ 10μM
KAPCG-1-E CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 5 0.29 Binding ≤ 10μM
KAPCG-1-E CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 80 0.25 Binding ≤ 10μM
KAPCG-1-E CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 790 0.21 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 67 0.25 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 70 0.25 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 74 0.25 Binding ≤ 10μM
KPCA-1-E Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic Eukaryotes 74 0.25 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 5 0.29 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 30 0.26 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 44 0.26 Binding ≤ 10μM
KPCB-1-E Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 80 0.25 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 4 0.29 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 5 0.29 Binding ≤ 10μM
KPCD-1-E Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic Eukaryotes 50 0.26 Binding ≤ 10μM
KPCD1-3-E Protein Kinase C Mu (cluster #3 Of 3), Eukaryotic Eukaryotes 5 0.29 Binding ≤ 10μM
KPCD3-3-E Protein Kinase C Nu (cluster #3 Of 3), Eukaryotic Eukaryotes 5 0.29 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 38 0.26 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 40 0.26 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 44 0.26 Binding ≤ 10μM
KPCE-1-E Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic Eukaryotes 50 0.26 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 5 0.29 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 30 0.26 Binding ≤ 10μM
KPCG-1-E Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic Eukaryotes 34 0.26 Binding ≤ 10μM
KPCI-1-E Protein Kinase C Iota (cluster #1 Of 3), Eukaryotic Eukaryotes 5 0.29 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 3 0.30 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 3 0.30 Binding ≤ 10μM
KPCL-2-E Protein Kinase C Eta (cluster #2 Of 4), Eukaryotic Eukaryotes 5 0.29 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 5 0.29 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 3500 0.19 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 3500 0.19 Binding ≤ 10μM
KPCZ-1-E Protein Kinase C Zeta (cluster #1 Of 5), Eukaryotic Eukaryotes 7400 0.18 Binding ≤ 10μM
RK-1-E Rhodopsin Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 340 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ARBK2_HUMAN P35626 Beta-adrenergic Receptor Kinase 2, Human 47 0.26 Binding ≤ 1μM
KAPCA_HUMAN P17612 CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human 60 0.25 Binding ≤ 1μM
KAPCB_HUMAN P22694 CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human 60 0.25 Binding ≤ 1μM
KAPCB_BOVIN P05131 CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Bovin 40 0.26 Binding ≤ 1μM
KAPCG_HUMAN P22612 CAMP-dependent Protein Kinase, Gamma Catalytic Subunit, Human 60 0.25 Binding ≤ 1μM
CSK21_RAT P19139 Casein Kinase II Alpha, Rat 30 0.26 Binding ≤ 1μM
CSK2B_RAT P67874 Casein Kinase II Beta, Rat 30 0.26 Binding ≤ 1μM
GRK4_HUMAN P32298 G Protein-coupled Receptor Kinase 4, Human 260 0.23 Binding ≤ 1μM
GRK5_HUMAN P34947 G Protein-coupled Receptor Kinase 5, Human 160 0.24 Binding ≤ 1μM
GRK6_HUMAN P43250 G Protein-coupled Receptor Kinase 6, Human 490 0.22 Binding ≤ 1μM
GRK7_HUMAN Q8WTQ7 G Protein-coupled Receptor Kinase 7, Human 180 0.24 Binding ≤ 1μM
ARBK1_HUMAN P25098 G-protein Coupled Receptor Kinase 2, Human 42 0.26 Binding ≤ 1μM
AKAP1_HUMAN Q92667 Protein Kinase A Anchoring Protein 1, Human 60 0.25 Binding ≤ 1μM
AKAP2_HUMAN Q9Y2D5 Protein Kinase A Anchoring Protein 2, Human 60 0.25 Binding ≤ 1μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 30 0.26 Binding ≤ 1μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 10 0.28 Binding ≤ 1μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 32 0.26 Binding ≤ 1μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 10 0.28 Binding ≤ 1μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 22 0.27 Binding ≤ 1μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 10 0.28 Binding ≤ 1μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 5.3 0.29 Binding ≤ 1μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 5.3 0.29 Binding ≤ 1μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 5.3 0.29 Binding ≤ 1μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 5.3 0.29 Binding ≤ 1μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 5.3 0.29 Binding ≤ 1μM
RK_HUMAN Q15835 Rhodopsin Kinase, Human 340 0.23 Binding ≤ 1μM
ARBK2_HUMAN P35626 Beta-adrenergic Receptor Kinase 2, Human 47 0.26 Binding ≤ 10μM
KAPCA_HUMAN P17612 CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human 60 0.25 Binding ≤ 10μM
KAPCB_BOVIN P05131 CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Bovin 40 0.26 Binding ≤ 10μM
KAPCB_HUMAN P22694 CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human 60 0.25 Binding ≤ 10μM
KAPCG_HUMAN P22612 CAMP-dependent Protein Kinase, Gamma Catalytic Subunit, Human 60 0.25 Binding ≤ 10μM
CSK21_RAT P19139 Casein Kinase II Alpha, Rat 30 0.26 Binding ≤ 10μM
CSK2B_RAT P67874 Casein Kinase II Beta, Rat 30 0.26 Binding ≤ 10μM
GRK4_HUMAN P32298 G Protein-coupled Receptor Kinase 4, Human 260 0.23 Binding ≤ 10μM
GRK5_HUMAN P34947 G Protein-coupled Receptor Kinase 5, Human 160 0.24 Binding ≤ 10μM
GRK6_HUMAN P43250 G Protein-coupled Receptor Kinase 6, Human 490 0.22 Binding ≤ 10μM
GRK7_HUMAN Q8WTQ7 G Protein-coupled Receptor Kinase 7, Human 180 0.24 Binding ≤ 10μM
ARBK1_HUMAN P25098 G-protein Coupled Receptor Kinase 2, Human 42 0.26 Binding ≤ 10μM
AKAP1_HUMAN Q92667 Protein Kinase A Anchoring Protein 1, Human 60 0.25 Binding ≤ 10μM
AKAP2_HUMAN Q9Y2D5 Protein Kinase A Anchoring Protein 2, Human 60 0.25 Binding ≤ 10μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 30 0.26 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 10 0.28 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 32 0.26 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 10 0.28 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 22 0.27 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 10 0.28 Binding ≤ 10μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 5.3 0.29 Binding ≤ 10μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 5.3 0.29 Binding ≤ 10μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 5.3 0.29 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 5.3 0.29 Binding ≤ 10μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 3500 0.19 Binding ≤ 10μM
RK_HUMAN Q15835 Rhodopsin Kinase, Human 340 0.23 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
Ca2+ pathway
Calmodulin induced events
Condensation of Prometaphase Chromosomes
CREB phosphorylation through the activation of Adenylate Cyclase
DAG and IP3 signaling
DARPP-32 events
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
Downstream TCR signaling
Effects of PIP2 hydrolysis
EGFR Transactivation by Gastrin
Factors involved in megakaryocyte development and platelet production
FCERI mediated NF-kB activation
G alpha (q) signalling events
G alpha (z) signalling events
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion
Gluconeogenesis
GPVI-mediated activation cascade
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Interferon gamma signaling
Interleukin-3, 5 and GM-CSF signaling
Loss of Nlp from mitotic centrosomes
Loss of proteins required for interphase microtubule organization from the ce
Netrin-1 signaling
p75NTR recruits signalling complexes
PKA activation
PKA activation in glucagon signalling
PKA-mediated phosphorylation of CREB
PKA-mediated phosphorylation of key metabolic factors
Rap1 signalling
Recruitment of mitotic centrosome proteins and complexes
Regulation of insulin secretion
Regulation of KIT signaling
Regulation of PLK1 Activity at G2/M Transition
Response to elevated platelet cytosolic Ca2+
Role of phospholipids in phagocytosis
Signal transduction by L1
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 GluR2-containing AMPA receptors
Vasopressin regulates renal water homeostasis via Aquaporins
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferation
WNT mediated activation of DVL
WNT5A-dependent internalization of FZD4

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

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