UCSF
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Analogs

26265249
26265249
26265257
26265257
26265264
26265264

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Popular Name: 1-(6-Amino-9H-purin-9-yl)-N-cyclopentyl-1-deoxyribofuranuronamide; Adenosine-5'-(N-cyclopentyl)carboxamide; BRN 0587969; LS-143752; Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-N-cyclopentyl-1-deoxy- 1-(6-Amino-9H-purin-9-yl)-N-cycl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-2-E Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 770 0.34 Binding ≤ 10μM
AA2AR-1-E Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 610 0.35 Binding ≤ 10μM
AA3R-2-E Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic Eukaryotes 32 0.42 Binding ≤ 10μM
OXGR1-1-E G Protein-coupled Receptor 80 (cluster #1 Of 1), Eukaryotic Eukaryotes 49 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_RAT P25099 Adenosine A1 Receptor, Rat 770 0.34 Binding ≤ 1μM
AA2AR_RAT P30543 Adenosine A2a Receptor, Rat 610 0.35 Binding ≤ 1μM
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 32 0.42 Binding ≤ 1μM
OXGR1_RAT Q6Y1R5 G Protein-coupled Receptor 80, Rat 49 0.41 Binding ≤ 1μM
AA1R_RAT P25099 Adenosine A1 Receptor, Rat 4900 0.30 Binding ≤ 10μM
AA2AR_RAT P30543 Adenosine A2a Receptor, Rat 610 0.35 Binding ≤ 10μM
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 32 0.42 Binding ≤ 10μM
OXGR1_RAT Q6Y1R5 G Protein-coupled Receptor 80, Rat 49 0.41 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) 0.28 0.62 -16.12 5 10 0 148 348.363 3 ↓
Lo Low (pH 4.5-6) 0.28 0.88 -38.15 6 10 1 150 349.371 3 ↓
Lo Low (pH 4.5-6) 0.28 -3.5 -38.2 6 10 1 150 349.371 3 ↓

Parameters Provided:

ring.id = 228032
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 = 228032 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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