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Popular Name: 3-[[5-(2,3-dichlorophenyl)-1h-tetrazol-1-yl]methyl]pyridine hydrochloride 3-[[5-(2,3-dichlorophenyl)-1h-te…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 316 0.46 Binding ≤ 10μM
P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 126 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2RX7_RAT Q64663 P2X Purinoceptor 7, Rat 316.227766 0.46 Binding ≤ 1μM
P2RX7_RAT Q64663 P2X Purinoceptor 7, Rat 316.227766 0.46 Binding ≤ 10μM
P2RX7_HUMAN Q99572 P2X Purinoceptor 7, Human 125.892541 0.48 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) 3.05 6.91 -15.08 0 5 0 57 306.156 3 ↓

Parameters Provided:

ring.id = 20325
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 = 20325 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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