UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 64762-53-4; 7-methyl-3-(2-(7-methyl[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)[1,2,4]triazolo[4,3-a]pyridine; nsc303530 64762-53-4; 7-methyl-3-(2-(7-met…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTSI-2-B CpG DNA Methylase (cluster #2 Of 2), Bacterial Bacteria 400 0.41 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) 2.59 11.65 -26.01 0 6 0 60 292.346 3 ↓

Analogs

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Popular Name: RG 108 RG 108

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And 20 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTSI-2-B CpG DNA Methylase (cluster #2 Of 2), Bacterial Bacteria 600 0.35 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) 2.71 9.73 -64.76 1 6 -1 95 333.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: RG 108 RG 108

Find On: PubMed — Wikipedia — Google

Vendors

And 10 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTSI-2-B CpG DNA Methylase (cluster #2 Of 2), Bacterial Bacteria 600 0.35 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) 2.71 10.05 -63.75 1 6 -1 95 333.323 4 ↓

Parameters Provided:

target.name = MTSI-2-B
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 'MTSI-2-B' 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=MTSI-2-B&target.type=B10&filter.purchasability=purchasable

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