UCSF

ZINC40690585

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 27 Yes

Popular Name: N-[(2R,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(6-methoxy-2-naphthyl)oxy]tetrahydropyran-3-y N-[(2R,3R,4S,5S,6S)-4,5-dihydrox…

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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) 0.45 -0.16 -17.81 4 8 0 117 377.393 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
B4GT1-1-E Beta-1,4-galactosyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3500 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
B4GT1_BOVIN P08037 Beta-1,4-galactosyltransferase 1, Bovin 3500 0.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Interaction With The Zona Pellucida
Keratan sulfate biosynthesis
N-Glycan antennae elongation
Pre-NOTCH Processing in Golgi

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