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4557060
4557060

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Popular Name: Mitoguazone Mitoguazone

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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 1500 0.63 Binding ≤ 10μM
DCAM-3-E S-adenosylmethionine Decarboxylase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 1000 0.65 Binding ≤ 10μM
DCAM-3-E S-adenosylmethionine Decarboxylase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 1400 0.63 Binding ≤ 10μM
Q6IMK5-2-E Diamine Oxidase-like Protein 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 1900 0.62 Binding ≤ 10μM
Q6IMK6-2-E Diamine Oxidase-like Protein 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1900 0.62 Binding ≤ 10μM
Z80532-6-O T-24 (Bladder Carcinoma Cells) (cluster #6 Of 6), Other Other 1100 0.64 Functional ≤ 10μM
Z80532-6-O T-24 (Bladder Carcinoma Cells) (cluster #6 Of 6), Other Other 1130 0.64 Functional ≤ 10μM
Z80088-2-O CHO (Ovarian Cells) (cluster #2 Of 3), Other Other 3300 0.59 ADME/T ≤ 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) -1.84 0.92 -34.14 9 8 1 150 185.215 5 ↓
Ref Reference (pH 7) -1.84 1.62 -39.42 9 8 1 150 185.215 5 ↓
Ref Reference (pH 7) -1.84 1.08 -37.47 9 8 1 150 185.215 5 ↓

Parameters Provided:

annotation.name = ABP1_RAT
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 'ABP1\\_RAT' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=ABP1_RAT&filter.purchasability=purchasable

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