UCSF

ZINC02575702

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 26 No

Popular Name: U0126 U0126

Find On: PubMed — Wikipedia — Google

CAS Numbers: 109511-58-2 , 109522-58-2 , 1173097-76-1 , [109511-58-2] , [109522-58-2] , [1173097-76-1]

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) 2.04 4.47 -13.78 8 6 0 152 380.502 5 ↓
Ref Reference (pH 7) 2.04 3.6 -6.97 8 6 0 152 380.502 5 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links MAPK2_PNECA ChEBI
Target MEK Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MP2K1-2-E Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #2 Of 4), Eukaryotic Eukaryotes 72 0.38 Binding ≤ 10μM
MP2K1-2-E Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #2 Of 4), Eukaryotic Eukaryotes 2600 0.30 Binding ≤ 10μM
MP2K2-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.39 Binding ≤ 10μM
MP2K1-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 500 0.34 Functional ≤ 10μM
MP2K2-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 500 0.34 Functional ≤ 10μM
RAF1-1-E Serine/threonine-protein Kinase RAF (cluster #1 Of 2), Eukaryotic Eukaryotes 290 0.35 Functional ≤ 10μM
Z50425-2-O Plasmodium Falciparum (cluster #2 Of 22), Other Other 3981 0.29 Functional ≤ 10μM
Z50531-1-O Caenorhabditis Elegans (cluster #1 Of 3), Other Other 2000 0.31 Functional ≤ 10μM
Z80107-1-O COS-7 (Kidney Cells) (cluster #1 Of 2), Other Other 1000 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MP2K1_HUMAN Q02750 Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human 500 0.34 Binding ≤ 1μM
MP2K2_HUMAN P36507 Dual Specificity Mitogen-activated Protein Kinase Kinase 2, Human 58 0.39 Binding ≤ 1μM
MP2K1_HUMAN Q02750 Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human 500 0.34 Binding ≤ 10μM
MP2K2_HUMAN P36507 Dual Specificity Mitogen-activated Protein Kinase Kinase 2, Human 58 0.39 Binding ≤ 10μM
Z50531 Z50531 Caenorhabditis Elegans 2000 0.31 Functional ≤ 10μM
Z80107 Z80107 COS-7 (Kidney Cells) 1000 0.32 Functional ≤ 10μM
MP2K1_HUMAN Q02750 Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human 1000 0.32 Functional ≤ 10μM
MP2K2_HUMAN P36507 Dual Specificity Mitogen-activated Protein Kinase Kinase 2, Human 1000 0.32 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 3162.27766 0.30 Functional ≤ 10μM
RAF1_HUMAN P04049 Serine/threonine-protein Kinase RAF, Human 290 0.35 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CREB phosphorylation through the activation of Ras
ERK1 activation
ERK2 activation
GP1b-IX-V activation signalling
Interleukin-1 signaling
MEK activation
RAF activation
RAF phosphorylates MEK
Rap1 signalling
Signal transduction by L1
Signaling by FGFR
Stimuli-sensing channels
Uptake and function of anthrax toxins

Rings

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

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