UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: USAN) USAN)

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CXCR1-1-E Interleukin-8 Receptor A (cluster #1 Of 2), Eukaryotic Eukaryotes 5 0.61 Functional ≤ 10μM
CXCR2-1-E C-X-C Chemokine Receptor Type 2 (cluster #1 Of 3), Eukaryotic Eukaryotes 5 0.61 Functional ≤ 10μM
Z100521-1-O L1.2 (Pre-B Cells) (cluster #1 Of 1), Other Other 80 0.52 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) 2.88 3.91 -52.23 0 4 -1 70 282.385 5 ↓
Ref Reference (pH 7) 2.88 3.39 -9.79 1 4 0 67 283.393 5 ↓
Lo Low (pH 4.5-6) 2.70 5.1 -14.46 1 4 0 63 283.393 5 ↓

Parameters Provided:

target.name = Z100521-1-O
target.type = F10
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 'Z100521-1-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=Z100521-1-O&target.type=F10&filter.purchasability=purchasable

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