UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(2,4-Dichloro-phenyl)-2,4-dioxo-butyric acid 4-(2,4-Dichloro-phenyl)-2,4-diox…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERCC5-2-E DNA Excision Repair Protein ERCC-5 (cluster #2 Of 2), Eukaryotic Eukaryotes 9850 0.44 Binding ≤ 10μM
FEN1-2-E Flap Endonuclease 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 5530 0.46 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) 1.43 8.43 -47.24 0 4 -1 74 260.052 4 ↓

Analogs

2579919
2579919

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Popular Name: 4-(2,5-dichlorophenyl)-2,4-dioxo-butanoic 4-(2,5-dichlorophenyl)-2,4-dioxo…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERCC5-2-E DNA Excision Repair Protein ERCC-5 (cluster #2 Of 2), Eukaryotic Eukaryotes 7000 0.45 Binding ≤ 10μM
FEN1-2-E Flap Endonuclease 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1820 0.50 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) 1.43 7.44 -49.92 0 4 -1 74 260.052 4 ↓

Analogs

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Popular Name: (1,1'-Biphenyl)-4-butanoic acid, alpha,gamma-dioxo-; 4-Biphenylyl-2,4-dioxo-butyric acid; BRN 5545225; LS-44185; alpha,gamma-Dioxo(1,1'-biphenyl)-4-butanoic acid (1,1'-Biphenyl)-4-butanoic acid,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERCC5-2-E DNA Excision Repair Protein ERCC-5 (cluster #2 Of 2), Eukaryotic Eukaryotes 1600 0.41 Binding ≤ 10μM
FEN1-2-E Flap Endonuclease 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 3500 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) 1.94 10.93 -49.22 0 4 -1 74 267.26 5 ↓

Analogs

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Popular Name: (Z)-2-hydroxy-4-oxo-4-(4-phenoxyphenyl)but-2-enoic (Z)-2-hydroxy-4-oxo-4-(4-phenoxy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERCC5-2-E DNA Excision Repair Protein ERCC-5 (cluster #2 Of 2), Eukaryotic Eukaryotes 1870 0.38 Binding ≤ 10μM
FEN1-2-E Flap Endonuclease 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1750 0.38 Binding ≤ 10μM
Q7ZJM1-1-V Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral Viruses 7800 0.34 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) 1.90 10.46 -48.06 0 5 -1 84 283.259 6 ↓

Parameters Provided:

target.name = ERCC5-2-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 'ERCC5-2-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=ERCC5-2-E&target.type=B10&filter.purchasability=purchasable

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