UCSF
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Popular Name: CHS-828 CHS-828

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80035-5-O B16 (Melanoma Cells) (cluster #5 Of 7), Other Other 280 0.35 Functional ≤ 10μM
Z80120-1-O DLD-1 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other Other 2315 0.30 Functional ≤ 10μM
Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 31 0.40 Functional ≤ 10μM
Z80342-1-O NSCLC (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 1), Other Other 3 0.46 Functional ≤ 10μM
Z80346-1-O NUGC (cluster #1 Of 1), Other Other 25 0.41 Functional ≤ 10μM
Z80585-1-O WALKER (cluster #1 Of 1), Other Other 500 0.34 Functional ≤ 10μM
Z80606-1-O YOSHIDA (Sarcoma Cells) (cluster #1 Of 1), Other Other 140 0.37 Functional ≤ 10μM
Z80900-1-O HA22T Cell Line (cluster #1 Of 1), Other Other 2067 0.31 Functional ≤ 10μM
Z80966-1-O HONE1 Cell Line (cluster #1 Of 1), Other Other 15 0.42 Functional ≤ 10μM
Z81020-3-O HepG2 (Hepatoblastoma Cells) (cluster #3 Of 8), Other Other 1245 0.32 Functional ≤ 10μM
Z81024-5-O NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #5 Of 8), Other Other 50 0.39 Functional ≤ 10μM
Z81159-1-O Lewis Cell Line (cluster #1 Of 1), Other Other 560 0.34 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) 3.88 14.01 -8.28 2 6 0 82 371.872 11 ↓
Ref Reference (pH 7) 3.88 12.49 -7.73 2 6 0 82 371.872 11 ↓
Ref Reference (pH 7) 3.88 13.82 -12.95 2 6 0 82 371.872 11 ↓

Parameters Provided:

target.name = Z80346-1-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 'Z80346-1-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=Z80346-1-O&target.type=F10&filter.purchasability=purchasable

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