UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14951055
14951055

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Popular Name: Aminoguanidine Aminoguanidine

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABP1-3-E Diamine Oxidase (cluster #3 Of 4), Eukaryotic Eukaryotes 140 1.92 Binding ≤ 10μM
NOS1-4-E Nitric-oxide Synthase, Brain (cluster #4 Of 7), Eukaryotic Eukaryotes 5900 1.46 Binding ≤ 10μM
NOS2-6-E Nitric Oxide Synthase, Inducible (cluster #6 Of 9), Eukaryotic Eukaryotes 3900 1.51 Binding ≤ 10μM
NOS1-1-E Nitric-oxide Synthase, Brain (cluster #1 Of 3), Eukaryotic Eukaryotes 6000 1.46 Functional ≤ 10μM
NOS2-3-E Nitric Oxide Synthase, Inducible (cluster #3 Of 3), Eukaryotic Eukaryotes 4500 1.50 Functional ≤ 10μM
Z80418-8-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #8 Of 9), Other Other 50 2.04 Functional ≤ 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) -2.27 -7.4 -28.95 7 4 1 89 75.095 1 ↓

Parameters Provided:

target.name = Z80418-8-O
target.type = F10
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 'Z80418-8-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=Z80418-8-O&target.type=F10&filter.purchasability=purchasable

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