UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37866063
37866063
42851581
42851581
27088322
27088322

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Popular Name: 3-(7-benzyloxy-1H-indol-3-yl)-2,5-dihydroxy-1,4-benzoquinone 3-(7-benzyloxy-1H-indol-3-yl)-2,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MPIP1-2-E Dual Specificity Phosphatase Cdc25A (cluster #2 Of 2), Eukaryotic Eukaryotes 4200 0.28 Binding ≤ 10μM
MPIP2-1-E Dual Specificity Phosphatase Cdc25B (cluster #1 Of 2), Eukaryotic Eukaryotes 4200 0.28 Binding ≤ 10μM
MPIP3-2-E Dual Specificity Phosphatase Cdc25C (cluster #2 Of 2), Eukaryotic Eukaryotes 6900 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MPIP1_HUMAN P30304 Dual Specificity Phosphatase Cdc25A, Human 4200 0.28 Binding ≤ 10μM
MPIP2_HUMAN P30305 Dual Specificity Phosphatase Cdc25B, Human 4200 0.28 Binding ≤ 10μM
MPIP3_HUMAN P30307 Dual Specificity Phosphatase Cdc25C, Human 6900 0.27 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) 2.77 6.87 -51.03 2 6 -1 102 360.345 4 ↓
Mid Mid (pH 6-8) 2.77 6.96 -46.49 2 6 -1 102 360.345 4 ↓
Mid Mid (pH 6-8) 2.77 10.15 -112.4 1 6 -2 105 359.337 4 ↓

Parameters Provided:

ring.id = 77931
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 = 77931 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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