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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: trimethyl(oxo)BLAHcarboxamide trimethyl(oxo)BLAHcarboxamide

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HS90A-1-E Heat Shock Protein HSP 90-alpha (cluster #1 Of 4), Eukaryotic Eukaryotes 96 0.31 Binding ≤ 10μM
KCNH2-1-E HERG (cluster #1 Of 5), Eukaryotic Eukaryotes 2600 0.24 Binding ≤ 10μM
Z80928-3-O HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other Other 32 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HS90A_HUMAN P07900 Heat Shock Protein HSP 90-alpha, Human 96 0.31 Binding ≤ 1μM
HS90A_HUMAN P07900 Heat Shock Protein HSP 90-alpha, Human 96 0.31 Binding ≤ 10μM
KCNH2_HUMAN Q12809 HERG, Human 2600 0.24 Binding ≤ 10μM
Z80928 Z80928 HCT-116 (Colon Carcinoma Cells) 32 0.33 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) 3.52 9.42 -47.89 4 6 1 82 435.592 1 ↓
Hi High (pH 8-9.5) 3.52 7.17 -13.97 3 6 0 80 434.584 1 ↓

Parameters Provided:

ring.id = 482149
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 = 482149 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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