UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: oxidopamine hydrochloride oxidopamine hydrochloride

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And 24 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
G3P-2-E Glyceraldehyde-3-phosphate Dehydrogenase Liver (cluster #2 Of 2), Eukaryotic Eukaryotes 8000 0.59 Binding ≤ 10μM
Q9WTR4-2-E Norepinephrine Transporter (cluster #2 Of 2), Eukaryotic Eukaryotes 51 0.85 Binding ≤ 10μM
SC6A3-3-E Dopamine Transporter (cluster #3 Of 3), Eukaryotic Eukaryotes 12 0.92 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) -0.13 -4.44 -48.96 6 4 1 88 170.188 2 ↓

Analogs

14590200
14590200

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Popular Name: 2-Methyladenosine 2-Methyladenosine

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
G3P-1-E Glyceraldehyde-3-phosphate Dehydrogenase Liver (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 0.36 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) -0.77 -4.45 -15.27 5 9 0 140 281.272 2 ↓
Lo Low (pH 4.5-6) -0.77 -4.18 -29.69 6 9 1 141 282.28 2 ↓
Lo Low (pH 4.5-6) -0.77 -8.28 -30.33 6 9 1 141 282.28 2 ↓

Parameters Provided:

annotation.name = G3P_HUMAN
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 'G3P\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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