UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39291520
39291520

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Popular Name: 6-acetyl-7-methoxy-2H-chromen-2-one 6-acetyl-7-methoxy-2H-chromen-2-one

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH9-11-E Carbonic Anhydrase IX (cluster #11 Of 11), Eukaryotic Eukaryotes 7800 0.45 Binding ≤ 10μM
Q43570-1-E Zn Finger Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 6540 0.45 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) 1.87 6.97 -16.83 0 4 0 57 218.208 2 ↓

Analogs

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Popular Name: 8-Acetyl-7-methoxy-2H-chromen-2-one 8-Acetyl-7-methoxy-2H-chromen-2-one

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Vendors

And 2 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH9-11-E Carbonic Anhydrase IX (cluster #11 Of 11), Eukaryotic Eukaryotes 78 0.62 Binding ≤ 10μM
Q43570-1-E Zn Finger Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 61 0.63 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) 1.87 5.85 -19.11 0 4 0 57 218.208 2 ↓

Analogs

39289818
39289818

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Popular Name: 8-acetyl-7-hydroxy-2H-chromen-2-one 8-acetyl-7-hydroxy-2H-chromen-2-one

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Vendors

And 5 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH9-11-E Carbonic Anhydrase IX (cluster #11 Of 11), Eukaryotic Eukaryotes 73 0.67 Binding ≤ 10μM
Q43570-1-E Zn Finger Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 62 0.67 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) 1.81 4.86 -23.52 1 4 0 68 204.181 1 ↓

Analogs

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Popular Name: 7-HYDROXYCOUMARIN 7-HYDROXYCOUMARIN

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Vendors

And 55 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH9-11-E Carbonic Anhydrase IX (cluster #11 Of 11), Eukaryotic Eukaryotes 482 0.74 Binding ≤ 10μM
Q43570-1-E Zn Finger Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 754 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) 1.51 3.16 -12.7 1 3 0 50 162.144 0 ↓

Parameters Provided:

target.name = Q43570-1-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 'Q43570-1-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=Q43570-1-E&target.type=B10&filter.purchasability=purchasable

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