UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14953257
14953257
14953268
14953268

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Popular Name: PA(18:1(9Z)/0:0) PA(18:1(9Z)/0:0)

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-2-E Autotaxin (cluster #2 Of 2), Eukaryotic Eukaryotes 442 0.31 Binding ≤ 10μM
LPAR1-2-E Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 4), Eukaryotic Eukaryotes 31 0.36 Functional ≤ 10μM
LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 4), Eukaryotic Eukaryotes 7 0.39 Functional ≤ 10μM
LPAR3-1-E Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 3), Eukaryotic Eukaryotes 263 0.32 Functional ≤ 10μM
LPAR5-1-E Lysophosphatidic Acid Receptor 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 12 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) 5.95 11.88 -133.15 1 7 -2 119 434.51 21 ↓
Mid Mid (pH 6-8) 5.95 10.72 -45.25 2 7 -1 116 435.518 21 ↓

Parameters Provided:

target.name = ENPP2-2-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 'ENPP2-2-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=ENPP2-2-E&target.type=B10&filter.purchasability=purchasable

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