UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38730187
38730187

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Popular Name: (2S)-2-[[4-(1H-imidazol-4-ylmethylamino)-2-(1-naphthyl)benzoyl]amino]-4-methyl-pentanoic (2S)-2-[[4-(1H-imidazol-4-ylmeth…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FNTA-1-E Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 5400 0.22 Binding ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 5400 0.22 Binding ≤ 10μM
PGTB1-1-E Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 38 0.31 Binding ≤ 10μM
FNTA-1-E Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 10000 0.21 Functional ≤ 10μM
PGTB1-1-E Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGTB1_HUMAN P53609 Geranylgeranyl Transferase Type I Beta Subunit, Human 38 0.31 Binding ≤ 1μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 38 0.31 Binding ≤ 1μM
PGTB1_HUMAN P53609 Geranylgeranyl Transferase Type I Beta Subunit, Human 38 0.31 Binding ≤ 10μM
FNTB_HUMAN P49356 Protein Farnesyltransferase Beta Subunit, Human 5400 0.22 Binding ≤ 10μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 38 0.31 Binding ≤ 10μM
PGTB1_MOUSE Q8BUY9 Geranylgeranyl Transferase Type I Beta Subunit, Mouse 10000 0.21 Functional ≤ 10μM
FNTA_MOUSE Q61239 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Mouse 10000 0.21 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) 2.93 13.02 -90.01 4 7 0 111 456.546 9 ↓
Mid Mid (pH 6-8) 2.93 12.59 -64.77 3 7 -1 110 455.538 9 ↓
Mid Mid (pH 6-8) 2.93 12.47 -64.66 3 7 -1 110 455.538 9 ↓

Analogs

38730187
38730187

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Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FNTA-1-E Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 500 0.25 Functional ≤ 10μM
PGTB1-1-E Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGTB1_MOUSE Q8BUY9 Geranylgeranyl Transferase Type I Beta Subunit, Mouse 500 0.25 Functional ≤ 10μM
FNTA_MOUSE Q61239 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Mouse 500 0.25 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) 5.00 13.1 -51.39 4 7 1 97 471.581 10 ↓
Mid Mid (pH 6-8) 5.00 12.59 -17.86 3 7 0 96 470.573 10 ↓
Mid Mid (pH 6-8) 5.00 12.27 -14.04 3 7 0 96 470.573 10 ↓

Parameters Provided:

ring.id = 228016
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 228016 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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