UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: rk-682 rk-682

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MPIP2-2-E Dual Specificity Phosphatase Cdc25B (cluster #2 Of 2), Eukaryotic Eukaryotes 5100 0.28 Binding ≤ 10μM
PTN1-3-E Protein-tyrosine Phosphatase 1B (cluster #3 Of 4), Eukaryotic Eukaryotes 4700 0.29 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) 4.78 10.17 -39.05 1 5 -1 87 367.506 15 ↓
Hi High (pH 8-9.5) 4.78 10.41 -42.44 1 5 -1 87 367.506 15 ↓
Mid Mid (pH 6-8) 4.89 9.38 -10.88 2 5 0 84 368.514 16 ↓

Parameters Provided:

target.name = MPIP2-2-E
target.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 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 'MPIP2-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=MPIP2-2-E&target.type=B10&filter.purchasability=purchasable

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