UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9211540
9211540
9223145
9223145
11616665
11616665
11616666
11616666
592281
592281

Draw Identity 99% 90% 80% 70%

Popular Name: Ezetimibe Ezetimibe

Find On: PubMed — Wikipedia — Google

Vendors

And 32 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPCL1-1-E Niemann-Pick C1-like Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.31 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) 4.38 9.12 -14.62 2 4 0 61 409.432 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC009740 DNC009740

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A0MJA4-1-E Niemann-Pick C1-like 1 Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.24 Binding ≤ 10μM
A0MJA5-1-E Niemann-Pick C1-like 1 Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.25 Binding ≤ 10μM
NPCL1-1-E Niemann-Pick C1-like Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.22 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) 2.47 -6.56 -58.57 4 10 -1 159 584.548 9 ↓

Parameters Provided:

annotation.name = NPCL1_RAT
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 'NPCL1\\_RAT' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=NPCL1_RAT&filter.purchasability=purchasable

Embed Link to Results