UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

60213431
60213431

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Popular Name: Lauryldimethylamine N-oxide Lauryldimethylamine N-oxide

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERG7-2-E Lanosterol Synthase (cluster #2 Of 3), Eukaryotic Eukaryotes 2150 0.50 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) 3.27 11.06 -14.77 0 2 0 17 229.408 11 ↓

Analogs

20246030
20246030

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Popular Name: N-methyl-N-[[4-[(2-phenyltriazol-4-yl)methylaminomethyl]phenyl]methyl]methanamine N-methyl-N-[[4-[(2-phenyltriazol…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERG7-1-E Lanosterol Synthase (cluster #1 Of 3), Eukaryotic Eukaryotes 1410 0.34 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) 2.13 1.41 -93.66 3 5 2 51 323.444 7 ↓

Analogs

33809285
33809285
44105891
44105891
44105894
44105894

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Popular Name: DNC012535 DNC012535

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And 1 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERG7-1-E Lanosterol Synthase (cluster #1 Of 3), Eukaryotic Eukaryotes 2500 0.41 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) 4.09 2.42 -38.61 1 2 1 13 256.369 6 ↓

Analogs

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Popular Name: R048-8071 R048-8071

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAS1-1-E Cycloartenol Synthase (cluster #1 Of 1), Eukaryotic Eukaryotes 1750 0.29 Binding ≤ 10μM
ERG7-1-E Lanosterol Synthase (cluster #1 Of 3), Eukaryotic Eukaryotes 7 0.41 Binding ≤ 10μM
SQHC-2-B Squalene-hopene Cyclase (cluster #2 Of 2), Bacterial Bacteria 60 0.36 Binding ≤ 10μM
ERG7-1-F Lanosterol Synthase (cluster #1 Of 2), Fungal Fungi 210 0.33 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) 6.58 14.52 -40.4 1 3 1 31 449.384 12 ↓
Hi High (pH 8-9.5) 6.58 12.19 -6.86 0 3 0 30 448.376 12 ↓

Analogs

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Popular Name: BIBB515 BIBB515

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAS1-1-E Cycloartenol Synthase (cluster #1 Of 1), Eukaryotic Eukaryotes 2500 0.29 Binding ≤ 10μM
ERG7-1-E Lanosterol Synthase (cluster #1 Of 3), Eukaryotic Eukaryotes 36 0.39 Binding ≤ 10μM
SQHC-2-B Squalene-hopene Cyclase (cluster #2 Of 2), Bacterial Bacteria 2800 0.29 Binding ≤ 10μM
ERG7-1-F Lanosterol Synthase (cluster #1 Of 2), Fungal Fungi 670 0.32 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) 4.01 -3.31 -10.2 0 4 0 41 380.875 3 ↓

Analogs

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Popular Name: (4-chlorophenyl)-[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]methanone (4-chlorophenyl)-[4-[(4-imidazol…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERG7-1-E Lanosterol Synthase (cluster #1 Of 3), Eukaryotic Eukaryotes 32 0.39 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) 2.20 10.53 -11.89 0 5 0 41 380.879 4 ↓
Mid Mid (pH 6-8) 2.20 11.04 -39.83 1 5 1 43 381.887 4 ↓
Mid Mid (pH 6-8) 2.20 12.74 -57.13 1 5 1 43 381.887 4 ↓

Analogs

12496501
12496501
15449307
15449307
15449309
15449309
22060229
22060229

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Popular Name: Pravastatin Sodium Pravastatin Sodium

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And 25 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HMDH-1-E HMG-CoA Reductase (cluster #1 Of 2), Eukaryotic Eukaryotes 5 0.39 Binding ≤ 10μM
HMDH-1-E HMG-CoA Reductase (cluster #1 Of 2), Eukaryotic Eukaryotes 32 0.35 Binding ≤ 10μM
ERG1-2-E Squalene Monooxygenase (cluster #2 Of 2), Eukaryotic Eukaryotes 430 0.30 Functional ≤ 10μM
ERG7-2-E Lanosterol Synthase (cluster #2 Of 2), Eukaryotic Eukaryotes 430 0.30 Functional ≤ 10μM
FDFT-2-E Squalene Synthetase (cluster #2 Of 2), Eukaryotic Eukaryotes 430 0.30 Functional ≤ 10μM
Z50597-11-O Rattus Norvegicus (cluster #11 Of 12), Other Other 329 0.30 Functional ≤ 10μM
Z81020-2-O HepG2 (Hepatoblastoma Cells) (cluster #2 Of 8), Other Other 5100 0.25 Functional ≤ 10μM
Z81135-1-O L6 (Skeletal Muscle Myoblast Cells) (cluster #1 Of 4), Other Other 7600 0.24 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) 2.15 6.73 -54.29 3 7 -1 127 423.526 11 ↓

Analogs

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Popular Name: NB-598 NB-598

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERG1-1-E Squalene Monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.35 Functional ≤ 10μM
ERG7-1-E Lanosterol Synthase (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.35 Functional ≤ 10μM
FDFT-1-E Squalene Synthetase (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.35 Functional ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 7 0.37 Functional ≤ 10μM
Z50588-2-O Canis Familiaris (cluster #2 Of 7), Other Other 43 0.33 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 36 0.34 Functional ≤ 10μM
Z81020-3-O HepG2 (Hepatoblastoma Cells) (cluster #3 Of 8), Other Other 20 0.35 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) 7.77 17.38 -40.69 1 2 1 14 450.693 9 ↓

Parameters Provided:

annotation.name = ERG7_HUMAN
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 'ERG7\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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