UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1280287
1280287
1280288
1280288
1280289
1280289
1280290
1280290
3946345
3946345

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Popular Name: Ecdysterone Ecdysterone

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Vendors

And 16 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECR-2-E Ecdysone Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 46 0.30 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 -2.19 -12.25 6 7 0 138 480.642 5 ↓
Ref Reference (pH 7) 1.36 -1.9 -11.75 6 7 0 138 480.642 5 ↓

Analogs

1280287
1280287
1280288
1280288
1280289
1280289
1280290
1280290
3946345
3946345

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Popular Name: BRD-A16024771-001-01-4 BRD-A16024771-001-01-4

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECR-2-E Ecdysone Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 112 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) 1.84 -1.66 -20.18 6 7 0 138 494.669 5 ↓

Analogs

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Popular Name: cyasterone cyasterone

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECR-2-E Ecdysone Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 62 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) 0.71 -6.33 -18.09 5 8 0 144 520.663 4 ↓

Analogs

4165864
4165864
4165898
4165898
4228274
4228274
8632662
8632662
8632665
8632665

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Popular Name: PONASTERONE A PONASTERONE A

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECR-2-E Ecdysone Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.38 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) 2.56 -7.09 -10.72 5 6 0 118 464.643 5 ↓

Parameters Provided:

annotation.name = ECR_DROME
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'ECR\\_DROME' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=ECR_DROME&filter.purchasability=purchasable

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