UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37011532
37011532

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Popular Name: 5-methyl-3-o-anisyl-1,3-benzoxazol-2-one 5-methyl-3-o-anisyl-1,3-benzoxaz…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HG2A-1-E HLA-DR Antigens-associated Invariant Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 90 0.49 Binding ≤ 10μM
MIF-1-E Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic Eukaryotes 90 0.49 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) 3.27 9.18 -12.06 0 4 0 44 269.3 3 ↓

Analogs

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Popular Name: DNC008698 DNC008698

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HG2A-1-E HLA-DR Antigens-associated Invariant Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 1500 0.45 Binding ≤ 10μM
MIF-1-E Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic Eukaryotes 500 0.49 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) 3.26 9.14 -10.58 0 3 0 35 239.274 2 ↓

Parameters Provided:

annotation.name = HG2A_HUMAN
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 'HG2A\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=HG2A_HUMAN&filter.purchasability=purchasable

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