UCSF
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Popular Name: N-[(2S)-5-(6-methyl-3-pyridyl)indan-2-yl]propane-2-sulfonamide N-[(2S)-5-(6-methyl-3-pyridyl)in…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102164-1-O Liver Microsomes (cluster #1 Of 1), Other Other 600 0.38 ADME/T ≤ 10μM
Z102164-1-O Liver Microsomes (cluster #1 Of 1), Other Other 700 0.37 ADME/T ≤ 10μM
Z102178-1-O Liver Microsomes (cluster #1 Of 1), Other Other 2000 0.35 ADME/T ≤ 10μM
Z102178-1-O Liver Microsomes (cluster #1 Of 1), Other Other 3500 0.33 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) 2.75 6.37 -14.04 1 4 0 59 330.453 4 ↓
Lo Low (pH 4.5-6) 2.75 6.75 -42.37 2 4 1 60 331.461 4 ↓

Parameters Provided:

target.name = Z102178-1-O
target.type = A10
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 'Z102178-1-O' AND t.atype_fk = 4 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=Z102178-1-O&target.type=A10&filter.purchasability=purchasable

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