UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

22055357
22055357
3995568
3995568

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Popular Name: Cysteine-S-sulfate Cysteine-S-sulfate

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Vendors

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHAS-1-B Aspartate-semialdehyde Dehydrogenase (cluster #1 Of 1), Bacterial Bacteria 180 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) -4.90 -2.26 -54.39 3 6 -1 125 200.217 4 ↓
Hi High (pH 8-9.5) -4.90 -2.55 -91.9 2 6 -2 123 199.209 4 ↓

Parameters Provided:

annotation.name = DHAS_HELPY
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 'DHAS\\_HELPY' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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

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