UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-hydroxyisoquinoline-1,3(2H,4H)-dione 2-hydroxyisoquinoline-1,3(2H,4H)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RNH1-1-E Ribonuclease H1 (cluster #1 Of 2), Eukaryotic Eukaryotes 120 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) 0.37 3.94 -12 1 4 0 58 177.159 0 ↓

Analogs

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Popular Name: 2-Benzyl-5,6-dihydroxypyrimidine-4-carboxylic acid 2-Benzyl-5,6-dihydroxypyrimidine…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RNH1-1-E Ribonuclease H1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2100 0.44 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) 1.26 4.5 -56.65 2 6 -1 106 245.214 3 ↓
Hi High (pH 8-9.5) 1.72 1.1 -112.68 1 6 -2 109 244.206 3 ↓

Analogs

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Popular Name: 2,3-dihydroxy-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-3-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-5-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one; nsc73300 2,3-dihydroxy-6-propan-2-yl-cycl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RNH1-1-E Ribonuclease H1 (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.67 Binding ≤ 10μM
Q06347-1-V Reverse Transcriptase (cluster #1 Of 1), Viral Viruses 250 0.71 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) 1.58 3.83 -46.25 1 3 -1 60 179.195 1 ↓
Ref Reference (pH 7) 1.58 3.75 -48.81 1 3 -1 60 179.195 1 ↓
Hi High (pH 8-9.5) 1.58 4.63 -141.94 0 3 -2 63 178.187 1 ↓

Parameters Provided:

target.name = RNH1-1-E
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 'RNH1-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=RNH1-1-E&target.type=B10&filter.purchasability=purchasable

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