UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5718113
5718113

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Popular Name: N-(4-cyanophenyl)sulfamide N-(4-cyanophenyl)sulfamide

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH1-4-E Carbonic Anhydrase I (cluster #4 Of 12), Eukaryotic Eukaryotes 20 0.83 Binding ≤ 10μM
CAH12-7-E Carbonic Anhydrase XII (cluster #7 Of 9), Eukaryotic Eukaryotes 45 0.79 Binding ≤ 10μM
CAH2-5-E Carbonic Anhydrase II (cluster #5 Of 15), Eukaryotic Eukaryotes 16 0.84 Binding ≤ 10μM
CAH9-8-E Carbonic Anhydrase IX (cluster #8 Of 11), Eukaryotic Eukaryotes 45 0.79 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) 0.31 -1.08 -13.41 3 5 0 96 197.219 2 ↓

Parameters Provided:

target.name = CAH12-7-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 'CAH12-7-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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