UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-N-hydroxy-benzenesulfonamide 4-chloro-N-hydroxy-benzenesulfon…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH2-6-E Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic Eukaryotes 21 0.90 Binding ≤ 10μM
CAH4-16-E Carbonic Anhydrase IV (cluster #16 Of 16), Eukaryotic Eukaryotes 120 0.81 Binding ≤ 10μM
Z50592-6-O Oryctolagus Cuniculus (cluster #6 Of 8), Other Other 1360 0.68 Functional ≤ 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) 1.37 -1.15 -9.61 2 4 0 66 207.638 2 ↓
Hi High (pH 8-9.5) 1.37 -0.13 -43.63 1 4 -1 69 206.63 2 ↓

Analogs

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Popular Name: Benzenesulfohydroxamic Acid Benzenesulfohydroxamic Acid

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And 7 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH2-6-E Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic Eukaryotes 26 0.97 Binding ≤ 10μM
CAH4-16-E Carbonic Anhydrase IV (cluster #16 Of 16), Eukaryotic Eukaryotes 74 0.91 Binding ≤ 10μM
Z50592-6-O Oryctolagus Cuniculus (cluster #6 Of 8), Other Other 1030 0.76 Functional ≤ 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) 0.69 -1.68 -10.71 2 4 0 66 173.193 2 ↓
Hi High (pH 8-9.5) 0.69 -0.65 -48.64 1 4 -1 69 172.185 2 ↓

Analogs

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Popular Name: N-hydroxy-4-iodo-benzenesulfonamide N-hydroxy-4-iodo-benzenesulfonamide

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH2-6-E Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic Eukaryotes 13 0.92 Binding ≤ 10μM
CAH4-16-E Carbonic Anhydrase IV (cluster #16 Of 16), Eukaryotic Eukaryotes 45 0.86 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) 1.77 -0.56 -9.4 2 4 0 66 299.089 2 ↓
Hi High (pH 8-9.5) 1.77 0.45 -43.47 1 4 -1 69 298.081 2 ↓

Analogs

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Popular Name: N-Hydroxy-4-methylbenzenesulfonamide N-Hydroxy-4-methylbenzenesulfona…

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And 9 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH2-6-E Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic Eukaryotes 70 0.83 Binding ≤ 10μM
CAH4-16-E Carbonic Anhydrase IV (cluster #16 Of 16), Eukaryotic Eukaryotes 127 0.80 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) 1.14 -1 -10.61 2 4 0 66 187.22 2 ↓
Hi High (pH 8-9.5) 1.14 0.02 -48.73 1 4 -1 69 186.212 2 ↓

Analogs

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Popular Name: BRN 2645335; Benzenesulfonamide, p-bromo-N-hydroxy-; LS-31315; p-Bromo-N-hydroxybenzenesulfonamide BRN 2645335; Benzenesulfonamide,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH2-6-E Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic Eukaryotes 18 0.90 Binding ≤ 10μM
CAH4-16-E Carbonic Anhydrase IV (cluster #16 Of 16), Eukaryotic Eukaryotes 39 0.86 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) 1.50 -1.05 -9.56 2 4 0 66 252.089 2 ↓
Hi High (pH 8-9.5) 1.50 -0.03 -43.53 1 4 -1 69 251.081 2 ↓

Parameters Provided:

target.name = CAH4-16-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 'CAH4-16-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=CAH4-16-E&target.type=B10&filter.purchasability=purchasable

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