UCSF

ZINC59206027

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 24 Yes

Popular Name: DG2 DG2

Find On: PubMed — Wikipedia — Google

CAS Number: 871340-88-4

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) 2.77 8.21 -6.85 1 7 0 70 389.257 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KS6B1-2-E Ribosomal Protein S6 Kinase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 9 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KS6B1_HUMAN P23443 Ribosomal Protein S6 Kinase 1, Human 9.1 0.47 Binding ≤ 1μM
KS6B1_HUMAN P23443 Ribosomal Protein S6 Kinase 1, Human 9.1 0.47 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
S6K1 signalling
S6K1-mediated signalling

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

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