UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-Amino-2,3-dihydrophthalazine-1,4-dione 6-Amino-2,3-dihydrophthalazine-1…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TGT-1-B Queuine TRNA-ribosyltransferase (cluster #1 Of 2), Bacterial Bacteria 8300 0.55 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) 0.14 -3.41 -45.1 3 5 -1 95 176.155 0 ↓
Lo Low (pH 4.5-6) 0.14 -4.14 -9.74 4 5 0 92 177.163 0 ↓

Analogs

39239610
39239610

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Popular Name: 6-Methylpterine 6-Methylpterine

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TGT-2-B Queuine TRNA-ribosyltransferase (cluster #2 Of 2), Bacterial Bacteria 250 0.71 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) -0.40 0.58 -19.87 3 6 0 98 177.167 0 ↓
Hi High (pH 8-9.5) 0.06 -0.54 -47.79 2 6 -1 101 176.159 0 ↓

Analogs

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Popular Name: 3-amino-2-(2-hydroxyethyl)-1H-pyrazolo[4,3-c]pyridine-4,6-quinone 3-amino-2-(2-hydroxyethyl)-1H-py…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TGT-2-B Queuine TRNA-ribosyltransferase (cluster #2 Of 2), Bacterial Bacteria 8100 0.48 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) -1.31 -3.71 -21.6 5 7 0 117 210.193 2 ↓
Hi High (pH 8-9.5) -0.86 -4.83 -43.73 4 7 -1 120 209.185 2 ↓

Analogs

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Popular Name: 2-Amino-4-hydroxypteridine 2-Amino-4-hydroxypteridine

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TGT-2-B Queuine TRNA-ribosyltransferase (cluster #2 Of 2), Bacterial Bacteria 600 0.73 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) -0.62 -0.01 -19.72 3 6 0 98 163.14 0 ↓

Parameters Provided:

annotation.name = TGT_ZYMMO
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 'TGT\\_ZYMMO' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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

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