UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4103787
4103787
4103788
4103788
4103789
4103789
6779979
6779979
15205828
15205828

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Popular Name: 2-Naphthyl2-acetamido-2-deoxy-b-D-glucopyranoside 2-Naphthyl2-acetamido-2-deoxy-b-…

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Vendors

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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 9500 0.28 Binding ≤ 10μM

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) 0.41 -7.07 -17.12 4 7 0 108 347.367 4 ↓

Analogs

4103788
4103788
4103789
4103789
6779979
6779979
15205828
15205828
4103786
4103786

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Naphthyl2-acetamido-2-deoxy-b-D-glucopyranoside 2-Naphthyl2-acetamido-2-deoxy-b-…

Find On: PubMed — Wikipedia — Google

Vendors

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 9500 0.28 Binding ≤ 10μM

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) 0.41 -8.26 -23.46 4 7 0 108 347.367 4 ↓

Analogs

4103789
4103789
6779979
6779979
15205828
15205828
4103786
4103786
4103787
4103787

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Naphthyl2-acetamido-2-deoxy-b-D-glucopyranoside 2-Naphthyl2-acetamido-2-deoxy-b-…

Find On: PubMed — Wikipedia — Google

Vendors

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 9500 0.28 Binding ≤ 10μM

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) 0.41 -7.74 -16.06 4 7 0 108 347.367 4 ↓

Analogs

6779979
6779979
15205828
15205828
4103786
4103786
4103787
4103787
4103788
4103788

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Naphthyl2-acetamido-2-deoxy-b-D-glucopyranoside 2-Naphthyl2-acetamido-2-deoxy-b-…

Find On: PubMed — Wikipedia — Google

Vendors

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 9500 0.28 Binding ≤ 10μM

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) 0.41 -8.35 -20.96 4 7 0 108 347.367 4 ↓

Parameters Provided:

annotation.name = B4GT1_BOVIN
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'B4GT1\\_BOVIN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=B4GT1_BOVIN&filter.purchasability=purchasable

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