UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4785180
4785180

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Popular Name: N-benzyl-N-[2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)ethyl]furan-2-carboxamide N-benzyl-N-[2-(2,2-dimethyl-4-ph…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 120 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) 5.16 12.65 -10.67 0 4 0 43 417.549 7 ↓

Analogs

4785178
4785178

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Popular Name: N-benzyl-N-[2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)ethyl]furan-2-carboxamide N-benzyl-N-[2-(2,2-dimethyl-4-ph…

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Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 120 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) 5.16 12.94 -9.33 0 4 0 43 417.549 7 ↓

Analogs

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Popular Name: N-[(3R)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-3-(2-methoxyphenyl)propyl]-N-p-anisyl-2-furamide N-[(3R)-3-[(4S)-2,2-dimethyltetr…

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Vendors

And 3 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 3500 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) 5.53 2.86 -11.27 0 6 0 61 491.628 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-3-(2-methoxyphenyl)propyl]-N-p-anisyl-2-furamide N-[(3R)-3-[(4R)-2,2-dimethyltetr…

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 3500 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) 5.53 2.87 -12.56 0 6 0 61 491.628 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-3-(2-methoxyphenyl)propyl]-N-p-anisyl-2-furamide N-[(3S)-3-[(4S)-2,2-dimethyltetr…

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 3500 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) 5.53 2.89 -12.87 0 6 0 61 491.628 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-3-(2-methoxyphenyl)propyl]-N-p-anisyl-2-furamide N-[(3S)-3-[(4R)-2,2-dimethyltetr…

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ICMT-1-E Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Eukaryotic Eukaryotes 3500 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) 5.53 2.87 -10.71 0 6 0 61 491.628 10 ↓

Parameters Provided:

target.name = ICMT-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 'ICMT-1-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=ICMT-1-E&target.type=B10&filter.purchasability=purchasable

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