UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9211540
9211540
9223145
9223145
11616665
11616665
11616666
11616666
592281
592281

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Popular Name: Ezetimibe Ezetimibe

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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

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Popular Name: DNC009740 DNC009740

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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 ↓

Analogs

16612618
16612618
16612621
16612621
16612624
16612624
16612627
16612627
16612628
16612628

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Popular Name: 8-(4-tert-butylbenzoyl)-3-[2-oxo-2-(1-piperidyl)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one 8-(4-tert-butylbenzoyl)-3-[2-oxo…

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Vendors

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 2500 0.21 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) 4.26 12.54 -18.94 0 7 0 64 516.686 5 ↓

Parameters Provided:

target.name = NPCL1-1-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 'NPCL1-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=NPCL1-1-E&target.type=B10&filter.purchasability=purchasable

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