UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 2-chloro-5-[[(4Z)-4-[(4-methylsulfanylphenyl)methylene]-5-oxo-imidazol-1-yl]sulfamoyl]benzoic 2-chloro-5-[[(4Z)-4-[(4-methylsu…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LEF-1-B Anthrax Lethal Factor (cluster #1 Of 2), Bacterial Bacteria 4700 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LEF_BACAN P15917 Anthrax Lethal Factor, Bacan 2500 0.27 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) 2.44 9.05 -51.52 1 8 -1 121 450.905 6 ↓
Mid Mid (pH 6-8) 2.44 8.9 -106.76 0 8 -2 123 449.897 6 ↓

Parameters Provided:

ring.id = 73242
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 73242 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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