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Popular Name: N,N-dimethyl-4-(1-methyl-9H-pyrido[5,4-b]indol-4-yl)butan-1-amine N,N-dimethyl-4-(1-methyl-9H-pyri…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LMBL3-1-E Lethal(3)malignant Brain Tumor-like Protein 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 5700 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) 3.57 9.71 -40.75 2 3 1 33 282.411 5 ↓
Lo Low (pH 4.5-6) 3.57 9.97 -80.29 3 3 2 34 283.419 5 ↓

Parameters Provided:

target.name = LMBL3-1-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 'LMBL3-1-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=LMBL3-1-E&target.type=B10&filter.purchasability=purchasable

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