UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: DNC004210 DNC004210

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA2A-1-E Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 97 0.29 Binding ≤ 10μM
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 3500 0.22 Binding ≤ 10μM
NPY1R-1-E Neuropeptide Y Receptor Type 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 8370 0.21 Binding ≤ 10μM
NPY2R-1-E Neuropeptide Y Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1890 0.24 Binding ≤ 10μM
NPY4R-1-E Neuropeptide Y Receptor Type 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 5740 0.22 Binding ≤ 10μM
NPY5R-1-E Neuropeptide Y Receptor Type 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.37 Binding ≤ 10μM
NPY5R-1-E Neuropeptide Y Receptor Type 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.37 Binding ≤ 10μM
NPY5R-1-E Neuropeptide Y Receptor Type 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.35 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) 5.28 10.71 -33.44 5 7 1 111 476.626 7 ↓
Hi High (pH 8-9.5) 5.28 10.33 -18.38 4 7 0 110 475.618 7 ↓

Analogs

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Popular Name: 2-(Phenoxymethyl)-4-[3-(1-piperidinyl)propoxy]-1-[3-(4-piperidinyl)propyl]-1H-benzimidazole 2-(Phenoxymethyl)-4-[3-(1-piperi…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPY1R-1-E Neuropeptide Y Receptor Type 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 5 0.32 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) 5.40 15.69 -90.68 3 6 2 57 492.708 12 ↓
Lo Low (pH 4.5-6) 5.40 16.1 -144.67 4 6 3 59 493.716 12 ↓

Analogs

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Popular Name: methyl methyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPY1R-1-E Neuropeptide Y Receptor Type 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.27 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) 5.92 13.87 -62.14 4 10 1 119 591.729 12 ↓

Analogs

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Popular Name: BRD-K12079898-001-01-8 BRD-K12079898-001-01-8

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPY1R-1-E Neuropeptide Y Receptor Type 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 48 0.39 Binding ≤ 10μM
Q9ERC0-1-E Neuropeptide Y Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.27 Binding ≤ 10μM
Z80491-2-O SK-N-MC (Neuroepithelioma Cells) (cluster #2 Of 4), Other Other 8 0.44 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) 3.35 6.7 -16.03 2 7 0 119 371.418 4 ↓

Parameters Provided:

target.name = NPY1R-1-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 'NPY1R-1-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=NPY1R-1-E&target.type=B10&filter.purchasability=purchasable

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