UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-hydrazinopropanoic 3-hydrazinopropanoic

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GABT-3-E Gamma-amino-N-butyrate Transaminase (cluster #3 Of 3), Eukaryotic Eukaryotes 20 1.54 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) -1.83 -0.71 -55.8 4 4 0 83 104.109 3 ↓
Hi High (pH 8-9.5) -1.83 -1.26 -45.66 3 4 -1 78 103.101 3 ↓
Hi High (pH 8-9.5) -1.83 -1.47 -64.23 4 4 0 80 104.109 3 ↓

Analogs

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Popular Name: 3-Hydroxybenzylhydrazine dihydrochloride 3-Hydroxybenzylhydrazine dihydro…

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And 21 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GABT-2-E Gamma-amino-N-butyrate Transaminase (cluster #2 Of 3), Eukaryotic Eukaryotes 460 0.89 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) -0.46 -1.06 -46.07 5 3 1 60 139.178 2 ↓
Mid Mid (pH 6-8) -0.46 -0.86 -4.89 4 3 0 58 138.17 2 ↓
Mid Mid (pH 6-8) -0.46 -0.33 -40.39 5 3 1 63 139.178 2 ↓

Parameters Provided:

annotation.name = GABT_PIG
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 'GABT\\_PIG' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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

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