UCSF
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Popular Name: NVP-AUY922 NVP-AUY922

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPL-1-E Heat Shock Protein 90 Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 85 0.29 Binding ≤ 10μM
HS90A-1-E Heat Shock Protein HSP 90-alpha (cluster #1 Of 4), Eukaryotic Eukaryotes 9 0.33 Binding ≤ 10μM
HS90B-2-E Heat Shock Protein HSP 90-beta (cluster #2 Of 2), Eukaryotic Eukaryotes 8 0.33 Binding ≤ 10μM
TRAP1-1-E Heat Shock Protein 75 KDa, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 535 0.26 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) 4.19 3.42 -10.61 3 8 0 108 465.55 7 ↓
Lo Low (pH 4.5-6) 3.73 8.59 -100.96 3 8 0 112 465.55 6 ↓
Lo Low (pH 4.5-6) 3.52 8.57 -101.19 3 8 0 112 465.55 6 ↓

Parameters Provided:

annotation.name = TRAP1_HUMAN
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 'TRAP1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=TRAP1_HUMAN&filter.purchasability=purchasable

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