UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6446749
6446749

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Popular Name: 4-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]benzoic 4-[4,5-bis(4-phenylphenyl)-1H-im…

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Vendors

And 7 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
REST-1-B Telomere Resolvase ResT (cluster #1 Of 2), Bacterial Bacteria 9520 0.18 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) 8.89 1.11 -54.54 1 4 -1 68 491.57 6 ↓
Mid Mid (pH 6-8) 8.89 1.31 -63.53 2 4 0 65 492.578 6 ↓

Analogs

3978630
3978630
1570657
1570657

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Popular Name: CHAULMOOGRIC ACID CHAULMOOGRIC ACID

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
REST-2-B Telomere Resolvase ResT (cluster #2 Of 2), Bacterial Bacteria 2620 0.39 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) 6.44 13.93 -43.61 0 2 -1 40 279.444 13 ↓
Lo Low (pH 4.5-6) 6.44 11.95 -5.31 1 2 0 37 280.452 13 ↓

Analogs

1570657
1570657
3978629
3978629

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Popular Name: chaulmoogric acid chaulmoogric acid

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
REST-2-B Telomere Resolvase ResT (cluster #2 Of 2), Bacterial Bacteria 2620 0.39 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) 6.44 13.93 -43.6 0 2 -1 40 279.444 13 ↓
Lo Low (pH 4.5-6) 6.44 11.95 -5.31 1 2 0 37 280.452 13 ↓

Analogs

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Popular Name: wedelolactone wedelolactone

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CBR1-1-E Carbonyl Reductase [NADPH] 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.38 Binding ≤ 10μM
LOX5-1-E Arachidonate 5-lipoxygenase (cluster #1 Of 6), Eukaryotic Eukaryotes 2500 0.34 Binding ≤ 10μM
REST-1-B Telomere Resolvase ResT (cluster #1 Of 2), Bacterial Bacteria 8670 0.31 Binding ≤ 10μM
Z104301-4-O GABA-A Receptor; Anion Channel (cluster #4 Of 8), Other Other 2000 0.35 Binding ≤ 10μM
Z50597-5-O Rattus Norvegicus (cluster #5 Of 5), Other Other 700 0.37 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) 2.30 0.77 -15.07 3 7 0 113 314.249 1 ↓
Hi High (pH 8-9.5) 2.30 1.63 -43.84 2 7 -1 116 313.241 1 ↓

Parameters Provided:

annotation.name = REST_BORBU
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 'REST\\_BORBU' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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

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