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Popular Name: SNAP-398299 SNAP-398299

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA1A-1-E Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 78 0.28 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 939 0.24 Binding ≤ 10μM
GALR3-1-E Galanin Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADA1A_HUMAN P35348 Alpha-1a Adrenergic Receptor, Human 78 0.28 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 939 0.24 Binding ≤ 1μM
GALR3_HUMAN O60755 Galanin Receptor 3, Human 5 0.33 Binding ≤ 1μM
ADA1A_HUMAN P35348 Alpha-1a Adrenergic Receptor, Human 78 0.28 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 939 0.24 Binding ≤ 10μM
GALR3_HUMAN O60755 Galanin Receptor 3, Human 5 0.33 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) 6.13 14.15 -45.48 1 5 1 48 480.51 7 ↓
Hi High (pH 8-9.5) 6.13 11.94 -10.77 0 5 0 47 479.502 7 ↓

Parameters Provided:

ring.id = 86521
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 = 86521 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=86521&filter.purchasability=annotated

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