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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34977778
34977778

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Popular Name: DNC012075 DNC012075

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 30 0.70 Functional ≤ 10μM
TRPV2-2-E Transient Receptor Potential Cation Channel Subfamily V Member 2 (cluster #2 Of 3), Eukaryotic Eukaryotes 30 0.70 Functional ≤ 10μM
TRPV4-2-E Transient Receptor Potential Cation Channel Subfamily V Member 4 (cluster #2 Of 3), Eukaryotic Eukaryotes 30 0.70 Functional ≤ 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) 0.31 1.76 -39.64 3 5 1 64 207.257 1 ↓
Mid Mid (pH 6-8) 0.31 1.48 -13.79 2 5 0 62 206.249 1 ↓

Parameters Provided:

target.name = TRPV4-2-E
target.type = F10
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 'TRPV4-2-E' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=TRPV4-2-E&target.type=F10&filter.purchasability=purchasable

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