UCSF

ZINC14959960

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 26 Yes

CAS Number: 894804-07-0

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) 1.95 3.53 -18 3 8 0 120 356.382 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CDK2-1-E Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic Eukaryotes 820 0.33 Binding ≤ 10μM
KPCD2-1-E Serine/threonine-protein Kinase D2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5300 0.28 Binding ≤ 10μM
KS6B1-1-E Ribosomal Protein S6 Kinase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 3400 0.29 Binding ≤ 10μM
KS6B2-1-E Ribosomal Protein S6 Kinase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 3400 0.29 Binding ≤ 10μM
MK01-1-E Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4700 0.29 Binding ≤ 10μM
MK08-1-E Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic Eukaryotes 45 0.40 Binding ≤ 10μM
MK09-1-E C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic Eukaryotes 4 0.45 Binding ≤ 10μM
MK10-1-E C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 52 0.39 Binding ≤ 10μM
MK08-1-E C-Jun N-terminal Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 920 0.33 Functional ≤ 10μM
MK09-1-E C-Jun N-terminal Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 920 0.33 Functional ≤ 10μM
MK10-1-E C-Jun N-terminal Kinase 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 52 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK08_HUMAN P45983 C-Jun N-terminal Kinase 1, Human 2 0.47 Binding ≤ 1μM
MK09_HUMAN P45984 C-Jun N-terminal Kinase 2, Human 160 0.37 Binding ≤ 1μM
MK10_HUMAN P53779 C-Jun N-terminal Kinase 3, Human 52 0.39 Binding ≤ 1μM
CDK2_HUMAN P24941 Cyclin-dependent Kinase 2, Human 820 0.33 Binding ≤ 1μM
MK08_HUMAN P45983 C-Jun N-terminal Kinase 1, Human 2 0.47 Binding ≤ 10μM
MK09_HUMAN P45984 C-Jun N-terminal Kinase 2, Human 160 0.37 Binding ≤ 10μM
MK10_HUMAN P53779 C-Jun N-terminal Kinase 3, Human 52 0.39 Binding ≤ 10μM
CDK2_HUMAN P24941 Cyclin-dependent Kinase 2, Human 820 0.33 Binding ≤ 10μM
MK01_HUMAN P28482 MAP Kinase ERK2, Human 4700 0.29 Binding ≤ 10μM
KS6B1_HUMAN P23443 Ribosomal Protein S6 Kinase 1, Human 3400 0.29 Binding ≤ 10μM
KS6B2_HUMAN Q9UBS0 Ribosomal Protein S6 Kinase 2, Human 3400 0.29 Binding ≤ 10μM
KPCD2_HUMAN Q9BZL6 Serine/threonine-protein Kinase D2, Human 5300 0.28 Binding ≤ 10μM
MK08_HUMAN P45983 C-Jun N-terminal Kinase 1, Human 4 0.45 Functional ≤ 10μM
MK09_HUMAN P45984 C-Jun N-terminal Kinase 2, Human 4 0.45 Functional ≤ 10μM
MK10_HUMAN P53779 C-Jun N-terminal Kinase 3, Human 52 0.39 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of ATR in response to replication stress
Activation of BIM and translocation to mitochondria
Activation of BMF and translocation to mitochondria
Activation of the AP-1 family of transcription factors
Activation of the pre-replicative complex
Advanced glycosylation endproduct receptor signaling
AKT phosphorylates targets in the nucleus
CDK-mediated phosphorylation and removal of Cdc6
Constitutive PI3K/AKT Signaling in Cancer
CREB phosphorylation through the activation of Ras
Cyclin A/B1 associated events during G2/M transition
Cyclin A:Cdk2-associated events at S phase entry
Cyclin E associated events during G1/S transition
DNA Damage/Telomere Stress Induced Senescence
DSCAM interactions
ERK/MAPK targets
ERK2 activation
ERKs are inactivated
Factors involved in megakaryocyte development and platelet production
FCERI mediated MAPK activation
G0 and Early G1
G2 Phase
Gastrin-CREB signalling pathway via PKC and MAPK
Golgi Cisternae Pericentriolar Stack Reorganization
Growth hormone receptor signaling
JNK (c-Jun kinases) phosphorylation and activation mediated by activated human
Meiotic recombination
NCAM signaling for neurite out-growth
Negative regulation of FGFR signaling
NRAGE signals death through JNK
NRIF signals cell death from the nucleus
Oncogene Induced Senescence
Orc1 removal from chromatin
Oxidative Stress Induced Senescence
p53-Dependent G1 DNA Damage Response
phospho-PLA2 pathway
Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2
Recycling pathway of L1
Regulation of actin dynamics for phagocytic cup formation
Regulation of APC/C activators between G1/S and early anaphase
Regulation of HSF1-mediated heat shock response
RSK activation
S6K1 signalling
S6K1-mediated signalling
SCF(Skp2)-mediated degradation of p27/p21
Senescence-Associated Secretory Phenotype (SASP)
Signal attenuation
Signal transduction by L1
Signaling by FGFR
Thrombin signalling through proteinase activated receptors (PARs)

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

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