UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14590200
14590200

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Popular Name: 2-Methyladenosine 2-Methyladenosine

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Vendors

Activity (Go SEA)

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:

target.name = G3P-1-E
target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'G3P-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=G3P-1-E&target.type=B10&filter.purchasability=purchasable

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