UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Pyridine, 1,2,3,6-tetrahydro-1-methyl-5-(2-propyl-2H-1,2,3-triazol-4-yl)- (9CI) Pyridine, 1,2,3,6-tetrahydro-1-m…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM1-1-E Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic Eukaryotes 15 0.73 Binding ≤ 10μM
Z104303-3-O Muscarinic Acetylcholine Receptor (cluster #3 Of 7), Other Other 47 0.68 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) 1.36 6.05 -40.87 1 4 1 35 207.301 3 ↓

Analogs

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Popular Name: ALVAMELINE ALVAMELINE

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM1-1-E Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic Eukaryotes 36 0.74 Binding ≤ 10μM
ACM2-3-E Muscarinic Acetylcholine Receptor M2 (cluster #3 Of 3), Eukaryotic Eukaryotes 3200 0.55 Functional ≤ 10μM
ACM3-3-E Muscarinic Acetylcholine Receptor M3 (cluster #3 Of 3), Eukaryotic Eukaryotes 3200 0.55 Functional ≤ 10μM
Z104303-3-O Muscarinic Acetylcholine Receptor (cluster #3 Of 7), Other Other 9 0.80 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) 0.19 1.76 -38.47 1 5 1 48 194.262 2 ↓

Analogs

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Popular Name: Pyridine, 3-(2-ethyl-2H-tetrazol-5-yl)-1,2,5,6-tetrahydro-1-(1-methylethyl)- (9CI) Pyridine, 3-(2-ethyl-2H-tetrazol…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM1-1-E Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic Eukaryotes 270 0.57 Binding ≤ 10μM
Z104303-3-O Muscarinic Acetylcholine Receptor (cluster #3 Of 7), Other Other 300 0.57 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) 0.87 6.07 -35.55 1 5 1 48 222.316 3 ↓

Analogs

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Popular Name: Isoxazole, 3-methyl-5-[(Z)-3-pyrrolidinylidenemethyl]- (9CI) Isoxazole, 3-methyl-5-[(Z)-3-pyr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104303-3-O Muscarinic Acetylcholine Receptor (cluster #3 Of 7), Other Other 3290 0.64 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) 1.28 4.09 -41.45 2 3 1 43 165.216 1 ↓

Analogs

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Popular Name: CI-979 CI-979

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104303-3-O Muscarinic Acetylcholine Receptor (cluster #3 Of 7), Other Other 110 0.89 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) 0.76 2.29 -4.28 0 3 0 25 154.213 2 ↓

Analogs

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Popular Name: Ethanone, 1-(1,2,5,6-tetrahydro-1-methyl-3-pyridinyl)- (9CI) Ethanone, 1-(1,2,5,6-tetrahydro-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACH10-2-E Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic Eukaryotes 33 1.05 Binding ≤ 10μM
ACHA3-3-E Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic Eukaryotes 33 1.05 Binding ≤ 10μM
ACHA4-5-E Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #5 Of 5), Eukaryotic Eukaryotes 33 1.05 Binding ≤ 10μM
Z104303-3-O Muscarinic Acetylcholine Receptor (cluster #3 Of 7), Other Other 4380 0.75 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) 0.48 1.65 -41.72 1 2 1 21 140.206 1 ↓

Analogs

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Popular Name: Ethanone, 1-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)- (9CI) Ethanone, 1-(1,2,3,6-tetrahydro-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACH10-2-E Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic Eukaryotes 48 1.02 Binding ≤ 10μM
ACHA3-3-E Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #3 Of 5), Eukaryotic Eukaryotes 48 1.02 Binding ≤ 10μM
ACHA4-5-E Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #5 Of 5), Eukaryotic Eukaryotes 48 1.02 Binding ≤ 10μM
Z104303-3-O Muscarinic Acetylcholine Receptor (cluster #3 Of 7), Other Other 5425 0.74 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) 0.48 1.7 -41.47 1 2 1 21 140.206 1 ↓

Analogs

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Popular Name: Milamelinehydrochloride Milamelinehydrochloride

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104303-3-O Muscarinic Acetylcholine Receptor (cluster #3 Of 7), Other Other 110 0.89 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) 0.76 2.18 -5.81 0 3 0 25 154.213 2 ↓

Analogs

13739803
13739803

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Popular Name: Pyridine, 1-ethyl-3-(2-ethyl-2H-tetrazol-5-yl)-1,2,5,6-tetrahydro- (9CI) Pyridine, 1-ethyl-3-(2-ethyl-2H-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM1-1-E Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic Eukaryotes 140 0.64 Binding ≤ 10μM
Z104303-3-O Muscarinic Acetylcholine Receptor (cluster #3 Of 7), Other Other 78 0.66 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) 0.57 5.57 -37.63 1 5 1 48 208.289 3 ↓

Analogs

13739802
13739802

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Popular Name: Pyridine, 3-(2-ethyl-2H-tetrazol-5-yl)-1,2,5,6-tetrahydro-1-propyl- (9CI) Pyridine, 3-(2-ethyl-2H-tetrazol…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM1-1-E Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic Eukaryotes 900 0.53 Binding ≤ 10μM
Z104303-3-O Muscarinic Acetylcholine Receptor (cluster #3 Of 7), Other Other 450 0.56 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) 1.07 6.31 -38.16 1 5 1 48 222.316 4 ↓

Parameters Provided:

target.name = Z104303-3-O
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 'Z104303-3-O' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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