UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: diethyl diethyl

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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) 5.61 15.66 -15.07 0 8 0 82 493.604 10 ↓

Analogs

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Popular Name: diethyl diethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGAT1-1-E Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.27 Binding ≤ 10μM
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 300 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 300 0.26 Binding ≤ 1μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 160 0.27 Binding ≤ 1μM
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 300 0.26 Binding ≤ 10μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 160 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) 5.44 14.92 -15.64 0 8 0 82 479.577 11 ↓

Analogs

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Popular Name: diethyl diethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGAT1-1-E Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 220 0.26 Binding ≤ 10μM
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 300 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 300 0.25 Binding ≤ 1μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 220 0.26 Binding ≤ 1μM
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 300 0.25 Binding ≤ 10μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 220 0.26 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) 5.95 15.71 -15.5 0 8 0 82 493.604 12 ↓

Analogs

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Popular Name: diethyl diethyl

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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) 3.64 10.81 -16.91 1 9 0 103 481.549 11 ↓

Analogs

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Popular Name: diethyl diethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGAT1-1-E Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 240 0.27 Binding ≤ 10μM
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 8750 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 240 0.27 Binding ≤ 1μM
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 8750 0.21 Binding ≤ 10μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 240 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) 3.78 11.67 -16.31 0 9 0 92 467.522 10 ↓

Analogs

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Popular Name: diethyl diethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGAT1-1-E Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 110 0.26 Binding ≤ 10μM
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 920 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 920 0.23 Binding ≤ 1μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 110 0.26 Binding ≤ 1μM
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 920 0.23 Binding ≤ 10μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 110 0.26 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) 5.20 14.53 -13.9 0 8 0 82 519.52 11 ↓

Analogs

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Popular Name: diethyl diethyl

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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) 3.59 12.06 -16.05 0 8 0 82 423.469 8 ↓

Analogs

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Popular Name: diethyl diethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGAT1-1-E Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 570 0.25 Binding ≤ 10μM
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1490 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 570 0.25 Binding ≤ 1μM
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 1490 0.23 Binding ≤ 10μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 570 0.25 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) 5.00 14.26 -17.62 0 8 0 82 483.54 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl diethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGAT1-1-E Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 270 0.26 Binding ≤ 10μM
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 380 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 380 0.26 Binding ≤ 1μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 270 0.26 Binding ≤ 1μM
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 380 0.26 Binding ≤ 10μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 270 0.26 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) 5.02 14.22 -13.9 0 8 0 82 483.54 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl diethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGAT1-1-E Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 520 0.27 Binding ≤ 10μM
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2590 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 520 0.27 Binding ≤ 1μM
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 2590 0.24 Binding ≤ 10μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 520 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) 3.81 12.63 -14.88 0 8 0 82 437.496 8 ↓

Analogs

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Popular Name: diethyl diethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGAT1-1-E Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 240 0.28 Binding ≤ 10μM
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2170 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 240 0.28 Binding ≤ 1μM
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 2170 0.24 Binding ≤ 10μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 240 0.28 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) 4.38 13.38 -15.69 0 8 0 82 451.523 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl diethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGAT1-1-E Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 290 0.26 Binding ≤ 10μM
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 990 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 990 0.24 Binding ≤ 1μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 290 0.26 Binding ≤ 1μM
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 990 0.24 Binding ≤ 10μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 290 0.26 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) 5.05 14.21 -15.05 0 8 0 82 483.54 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl diethyl

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGAT1-1-E Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 270 0.26 Binding ≤ 10μM
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2560 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 270 0.26 Binding ≤ 1μM
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 2560 0.22 Binding ≤ 10μM
DGAT1_HUMAN O75907 Diacylglycerol O-acyltransferase 1, Human 270 0.26 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) 4.26 13.21 -15.81 0 9 0 92 495.576 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl diethyl

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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) 4.31 15.44 -46.57 1 9 1 87 509.627 12 ↓

Parameters Provided:

ring.id = 366372
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 = 366372 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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