UCSF

ZINC29127186

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 31 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) 4.39 5.07 -19.7 4 7 0 106 450.804 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RAF1-1-E Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic Eukaryotes 13 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
RAF1_HUMAN P04049 Serine/threonine-protein Kinase RAF, Human 13 0.36 Binding ≤ 1μM
RAF1_HUMAN P04049 Serine/threonine-protein Kinase RAF, Human 13 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CREB phosphorylation through the activation of Ras
GP1b-IX-V activation signalling
MEK activation
RAF activation
RAF phosphorylates MEK
Rap1 signalling
Stimuli-sensing channels

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