UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ISO24 ISO24

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SRC-2-E Tyrosine-protein Kinase SRC (cluster #2 Of 3), Eukaryotic Eukaryotes 4400 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) 1.32 -0.97 -130.14 1 5 -2 92 227.156 3 ↓

Analogs

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Popular Name: Phenylmalonic acid Phenylmalonic acid

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And 30 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SRC-2-E Tyrosine-protein Kinase SRC (cluster #2 Of 3), Eukaryotic Eukaryotes 2500 0.60 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) 0.87 4.66 -130.21 0 4 -2 80 178.143 3 ↓

Analogs

2168179
2168179

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Popular Name: alpha-Sulfophenylacetic acid alpha-Sulfophenylacetic acid

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And 12 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SRC-2-E Tyrosine-protein Kinase SRC (cluster #2 Of 3), Eukaryotic Eukaryotes 3200 0.55 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) -1.78 -5.57 -124.18 0 5 -2 97 214.198 3 ↓

Analogs

1681752
1681752

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Popular Name: alpha-Sulfophenylacetic acid alpha-Sulfophenylacetic acid

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And 11 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SRC-2-E Tyrosine-protein Kinase SRC (cluster #2 Of 3), Eukaryotic Eukaryotes 3200 0.55 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) -1.78 -5.64 -122.56 0 5 -2 97 214.198 3 ↓

Parameters Provided:

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

Permalink

//zinc12.docking.org/results/combination?target.name=SRC-2-E&target.type=B10&filter.purchasability=purchasable

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