UCSF

ZINC03993547

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 28 Yes

Popular Name: BAY U6751 BAY U6751

Find On: PubMed — Wikipedia — Google

CAS Number: 114290-51-6

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) 3.40 13.28 -138.46 0 7 -2 110 405.834 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PYGL-1-E Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic Eukaryotes 39 0.37 Binding ≤ 10μM
PYGM-1-E Muscle Glycogen Phosphorylase (cluster #1 Of 4), Eukaryotic Eukaryotes 138 0.34 Binding ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 2330 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PYGL_HUMAN P06737 Liver Glycogen Phosphorylase, Human 39 0.37 Binding ≤ 1μM
PYGM_HUMAN P11217 Muscle Glycogen Phosphorylase, Human 138 0.34 Binding ≤ 1μM
PYGL_HUMAN P06737 Liver Glycogen Phosphorylase, Human 39 0.37 Binding ≤ 10μM
PYGM_HUMAN P11217 Muscle Glycogen Phosphorylase, Human 138 0.34 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 2330 0.28 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glycogen breakdown (glycogenolysis)

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