UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-Aminomethyl-pyridin-3-yl)-methyl-amine (4-Aminomethyl-pyridin-3-yl)-met…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABP1-1-E Diamine Oxidase (cluster #1 Of 4), Eukaryotic Eukaryotes 160 0.95 Binding ≤ 10μM
AMO-1-E Amine Oxidase (cluster #1 Of 1), Eukaryotic Eukaryotes 710 0.86 Binding ≤ 10μM
AOC3-1-E Amine Oxidase, Copper Containing (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 0.71 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) -0.16 -0.24 -48.33 4 3 1 53 138.194 2 ↓
Lo Low (pH 4.5-6) -0.16 0.05 -97.36 5 3 2 54 139.202 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-ethyl-pyridin-3-amine 4-(aminomethyl)-N-ethyl-pyridin-…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABP1-1-E Diamine Oxidase (cluster #1 Of 4), Eukaryotic Eukaryotes 500 0.80 Binding ≤ 10μM
AMO-1-E Amine Oxidase (cluster #1 Of 1), Eukaryotic Eukaryotes 9300 0.64 Binding ≤ 10μM
AOC3-1-E Amine Oxidase, Copper Containing (cluster #1 Of 2), Eukaryotic Eukaryotes 2000 0.73 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) 0.21 0.57 -47.9 4 3 1 53 152.221 3 ↓
Lo Low (pH 4.5-6) 0.21 0.85 -97.77 5 3 2 54 153.229 3 ↓

Parameters Provided:

target.name = AMO-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 'AMO-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

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

Embed Link to Results