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Analogs

34326040
34326040

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Popular Name: cyclopropylmethylBLAHol cyclopropylmethylBLAHol

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 2 0.55 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.55 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 13 0.50 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 480 0.40 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.1 0.64 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 13 0.50 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 480 0.40 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 1100 0.38 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 0.19 0.62 Functional ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.8 0.58 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) 4.27 8.76 -39.51 2 2 1 25 298.45 2 ↓

Parameters Provided:

ring.id = 224046
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 224046 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=224046&filter.purchasability=annotated

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