UCSF

ZINC03817750

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 25 Yes

Popular Name: Ro 28-1675 Ro 28-1675

Find On: PubMed — Wikipedia — Google

CAS Numbers: 300352-96-9 , 300353-13-3

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) 3.16 -3.81 -19.89 1 5 0 76 378.519 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HXK4-1-E Hexokinase Type IV (cluster #1 Of 1), Eukaryotic Eukaryotes 690 0.35 Binding ≤ 10μM
HXK4-1-E Hexokinase Type IV (cluster #1 Of 1), Eukaryotic Eukaryotes 2200 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HXK4_HUMAN P35557 Hexokinase Type IV, Human 690 0.35 Binding ≤ 1μM
HXK4_HUMAN P35557 Hexokinase Type IV, Human 690 0.35 Binding ≤ 10μM
HXK4_RAT P17712 Hexokinase Type IV, Rat 1000 0.34 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glucose transport
Regulation of gene expression in beta cells
Regulation of Glucokinase by Glucokinase Regulatory Protein

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