UCSF
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Analogs

34648184
34648184

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Popular Name: [dihydroxy-methoxy-methyl-[(Z)-pyrazol-3-ylideneamino]BLAHyl]methyl [dihydroxy-methoxy-methyl-[(Z)-p…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80362-1-O P388 (Lymphoma Cells) (cluster #1 Of 8), Other Other 16 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80362 Z80362 P388 (Lymphoma Cells) 15.5 0.38 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) 0.80 -4.79 -48.03 6 11 1 160 401.403 5 ↓
Hi High (pH 8-9.5) 0.80 -6.21 -14.57 5 11 0 165 400.395 5 ↓
Lo Low (pH 4.5-6) 0.80 -4.49 -88.77 7 11 2 162 402.411 5 ↓

Parameters Provided:

ring.id = 510681
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 = 510681 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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