UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: DNC013972 DNC013972

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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 3990 0.63 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) 1.86 3.55 -6.79 1 2 0 37 184.622 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 ↓

Analogs

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Popular Name: DNC006145 DNC006145

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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 5480 0.67 Binding ≤ 10μM
SSDH-1-E Succinate Semialdehyde Dehydrogenase (cluster #1 Of 1), Eukaryotic Eukaryotes 350 0.82 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) 1.63 2.61 -11.59 1 2 0 37 148.161 2 ↓
Mid Mid (pH 6-8) 1.63 3.41 -43.65 0 2 -1 40 147.153 2 ↓

Parameters Provided:

target.name = GABT-2-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 'GABT-2-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=GABT-2-E&target.type=B10&filter.purchasability=purchasable

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