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Analogs

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Popular Name: 1,2,3-Cyclopentanetriol, 4-amino-5-methoxy-, (1R,2R,3R,4S,5R)- (9CI) 1,2,3-Cyclopentanetriol, 4-amino…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MA1B1-1-E Endoplasmic Reticulum Mannosyl-oligosaccharide 1,2-alpha-mannosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.86 Binding ≤ 10μM
MA2A1-1-E Alpha-mannosidase 2A1 (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.86 Binding ≤ 10μM
MA2A2-1-E Alpha-mannosidase 2A2 (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.86 Binding ≤ 10μM
MA2B1-1-E Lysosomal Alpha-mannosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.86 Binding ≤ 10μM
MA2B2-1-E Epididymis-specific Alpha-mannosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.86 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) -2.93 -7.33 -39.92 6 5 1 98 164.181 1 ↓
Hi High (pH 8-9.5) -2.93 -7.71 -9.53 5 5 0 96 163.173 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Cyclopentanetriol, 4-amino-5-(ethylthio)-, (1R,2R,3R,4S,5R)- (9CI) 1,2,3-Cyclopentanetriol, 4-amino…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MA1B1-1-E Endoplasmic Reticulum Mannosyl-oligosaccharide 1,2-alpha-mannosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
MA2A1-1-E Alpha-mannosidase 2A1 (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
MA2A2-1-E Alpha-mannosidase 2A2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
MA2B1-1-E Lysosomal Alpha-mannosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
MA2B2-1-E Epididymis-specific Alpha-mannosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.62 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) -2.01 -4.47 -36.87 6 4 1 88 194.276 2 ↓
Hi High (pH 8-9.5) -2.01 -4.93 -9.88 5 4 0 87 193.268 2 ↓

Parameters Provided:

target.name = MA1B1-1-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 'MA1B1-1-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=MA1B1-1-E&target.type=B10&filter.purchasability=purchasable

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