UCSF

ZINC66156879

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 30 No

Popular Name: 1-[[5-(2-methoxyethyl)-4-methyl-2-thienyl]sulfonyl]-3-[4-methoxy-6-(methylcarbamoylamino)-2-pyridyl] 1-[[5-(2-methoxyethyl)-4-methyl-…

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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) 1.67 1.41 -74.26 3 11 -1 154 456.526 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
F16P1-2-E Fructose-1,6-bisphosphatase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 2600 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 220 0.31 Binding ≤ 1μM
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 220 0.31 Binding ≤ 10μM
F16P1_MOUSE Q9QXD6 Fructose-1,6-bisphosphatase 1, Mouse 2600 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Gluconeogenesis

Rings

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

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