UCSF

ZINC14960076

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 30 Yes

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) 1.19 1.58 -27.73 3 10 0 154 434.474 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MK01-1-E Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 5800 0.24 Binding ≤ 10μM
MK08-1-E Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic Eukaryotes 38 0.35 Binding ≤ 10μM
MK09-1-E C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic Eukaryotes 150 0.32 Binding ≤ 10μM
MK08-1-E C-Jun N-terminal Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.38 Functional ≤ 10μM
MK09-1-E C-Jun N-terminal Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.38 Functional ≤ 10μM
MK10-1-E C-Jun N-terminal Kinase 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 72 0.33 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 3 0.40 Binding ≤ 1μM
MK09_HUMAN P45984 C-Jun N-terminal Kinase 2, Human 150 0.32 Binding ≤ 1μM
MK08_HUMAN P45983 C-Jun N-terminal Kinase 1, Human 3 0.40 Binding ≤ 10μM
MK09_HUMAN P45984 C-Jun N-terminal Kinase 2, Human 150 0.32 Binding ≤ 10μM
MK01_HUMAN P28482 MAP Kinase ERK2, Human 5800 0.24 Binding ≤ 10μM
MK08_HUMAN P45983 C-Jun N-terminal Kinase 1, Human 1300 0.27 Functional ≤ 10μM
MK09_HUMAN P45984 C-Jun N-terminal Kinase 2, Human 1300 0.27 Functional ≤ 10μM
MK10_HUMAN P53779 C-Jun N-terminal Kinase 3, Human 72 0.33 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of BIM and translocation to mitochondria
Activation of BMF and translocation to mitochondria
Activation of the AP-1 family of transcription factors
Advanced glycosylation endproduct receptor signaling
CREB phosphorylation through the activation of Ras
DSCAM interactions
ERK/MAPK targets
ERK2 activation
ERKs are inactivated
FCERI mediated MAPK activation
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
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
Oxidative Stress Induced Senescence
phospho-PLA2 pathway
Recycling pathway of L1
Regulation of actin dynamics for phagocytic cup formation
Regulation of HSF1-mediated heat shock response
RSK activation
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.