UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1320006
1320006
4556878
4556878
4556879
4556879

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Popular Name: (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-3,4-diol (2R,3S,4R,5R)-2-(Hydroxymethyl)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101767-1-O Dengue Virus 2 (cluster #1 Of 1), Other Other 5460 0.39 Functional ≤ 10μM
Z50076-1-O Poliovirus (cluster #1 Of 2), Other Other 1010 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) -1.05 -9.06 -15.2 3 8 0 113 266.257 2 ↓

Analogs

2583374
2583374

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Popular Name: 2'-C-Methyladenosine 2'-C-Methyladenosine

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-2-E Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 740 0.43 Binding ≤ 10μM
AA2AR-1-E Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 3400 0.38 Binding ≤ 10μM
Q8JXU8-1-V Hepatitis C Virus NS5B RNA-dependent RNA Polymerase (cluster #1 Of 1), Viral Viruses 300 0.46 Functional ≤ 10μM
Z101767-1-O Dengue Virus 2 (cluster #1 Of 1), Other Other 1120 0.42 Functional ≤ 10μM
Z50643-2-O Hepatitis C Virus (cluster #2 Of 5), Other Other 300 0.46 Functional ≤ 10μM
Z50643-2-O Hepatitis C Virus (cluster #2 Of 5), Other Other 300 0.46 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) -1.36 -3.67 -15.41 5 9 0 140 281.272 2 ↓
Lo Low (pH 4.5-6) -1.36 -3.42 -32.1 6 9 1 141 282.28 2 ↓
Lo Low (pH 4.5-6) -1.36 -7.83 -32.07 6 9 1 141 282.28 2 ↓

Analogs

2014826
2014826

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Popular Name: Mycophenolic Acid Mycophenolic Acid

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IMDH1-1-E Inosine-5'-monophosphate Dehydrogenase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 55 0.44 Binding ≤ 10μM
IMDH2-1-E Inosine-5'-monophosphate Dehydrogenase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 7 0.50 Binding ≤ 10μM
Z101767-1-O Dengue Virus 2 (cluster #1 Of 1), Other Other 5700 0.32 Functional ≤ 10μM
Z50442-2-O Candida Albicans (cluster #2 Of 4), Other Other 8000 0.31 Functional ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 58 0.44 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 1000 0.37 Functional ≤ 10μM
Z50599-1-O Cowpox Virus (cluster #1 Of 1), Other Other 3200 0.33 Functional ≤ 10μM
Z50641-2-O West Nile Virus (cluster #2 Of 2), Other Other 80 0.43 Functional ≤ 10μM
Z50678-1-O Respiratory Syncytial Virus (cluster #1 Of 2), Other Other 600 0.38 Functional ≤ 10μM
Z80040-1-O BHK-21 (Kidney Cells) (cluster #1 Of 1), Other Other 40 0.45 Functional ≤ 10μM
Z80166-1-O HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other Other 900 0.37 Functional ≤ 10μM
Z80186-6-O K562 (Erythroleukemia Cells) (cluster #6 Of 11), Other Other 80 0.43 Functional ≤ 10μM
Z80193-1-O L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other Other 200 0.41 Functional ≤ 10μM
Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 500 0.38 Functional ≤ 10μM
Z80401-1-O PSN1 (cluster #1 Of 2), Other Other 700 0.37 Functional ≤ 10μM
Z80583-1-O Vero (Kidney Cells) (cluster #1 Of 7), Other Other 80 0.43 Functional ≤ 10μM
Z80682-1-O A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other Other 400 0.39 Functional ≤ 10μM
Z80874-1-O CEM (T-cell Leukemia) (cluster #1 Of 7), Other Other 900 0.37 Functional ≤ 10μM
Z81057-1-O HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other Other 99 0.43 Functional ≤ 10μM
Z81072-1-O Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other Other 128 0.42 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) 2.63 7.03 -53.53 1 6 -1 96 319.333 6 ↓
Hi High (pH 8-9.5) 2.63 7.8 -109.76 0 6 -2 99 318.325 6 ↓
Lo Low (pH 4.5-6) 2.63 5.05 -14.55 2 6 0 93 320.341 6 ↓

Parameters Provided:

annotation.name = Z101767
anotation.type = F10
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 'Z101767' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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