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Analogs

28537734
28537734
38143543
38143543

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Popular Name: Falcarindiol Falcarindiol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-4-E Dopamine D1 Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 192 0.49 Binding ≤ 10μM
OPRD-2-E Delta Opioid Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 1096 0.44 Binding ≤ 10μM
OPRK-6-E Kappa Opioid Receptor (cluster #6 Of 6), Eukaryotic Eukaryotes 2515 0.41 Binding ≤ 10μM
OPRM-2-E Mu-type Opioid Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 1125 0.44 Binding ≤ 10μM
Z50594-7-O Mus Musculus (cluster #7 Of 9), Other Other 4400 0.39 Functional ≤ 10μM
Z80156-5-O HL-60 (Promyeloblast Leukemia Cells) (cluster #5 Of 12), Other Other 8900 0.37 Functional ≤ 10μM
Z80211-3-O LoVo (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other Other 4300 0.40 Functional ≤ 10μM
Z80418-3-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #3 Of 9), Other Other 1540 0.43 Functional ≤ 10μM
Z80418-2-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #2 Of 2), Other Other 3770 0.40 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) 5.08 -0.36 -5.49 2 2 0 40 260.377 8 ↓

Parameters Provided:

target.name = OPRK-6-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 'OPRK-6-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=OPRK-6-E&target.type=B10&filter.purchasability=purchasable

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