UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3925649
3925649

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Popular Name: 7-Cyano-2,3,4,5-tetrahydro-1-(1H-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-(2-thienylsulfonyl)-1H-1,4-benzodiazepine 7-Cyano-2,3,4,5-tetrahydro-1-(1H…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q5EI73-1-E Protein Farnesyltransferase Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.33 Binding ≤ 10μM
Q5EI74-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8 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) 3.66 12.46 -52.57 2 7 1 94 490.634 6 ↓
Ref Reference (pH 7) 3.66 12.49 -52.49 2 7 1 94 490.634 6 ↓
Mid Mid (pH 6-8) 3.66 11.6 -15.88 1 7 0 93 489.626 6 ↓

Analogs

602601
602601

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Popular Name: BMS-214662 BMS-214662

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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 2300 0.23 Binding ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 1 0.37 Binding ≤ 10μM
PGTB1-1-E Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 2300 0.23 Binding ≤ 10μM
Q5EI73-1-E Protein Farnesyltransferase Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.33 Binding ≤ 10μM
Q5EI74-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.33 Binding ≤ 10μM
Z80951-1-O NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other Other 25 0.31 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) 3.66 12.08 -52.1 2 7 1 94 490.634 6 ↓
Ref Reference (pH 7) 3.66 12.06 -52.02 2 7 1 94 490.634 6 ↓
Mid Mid (pH 6-8) 3.66 11.8 -15.02 1 7 0 93 489.626 6 ↓

Analogs

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Popular Name: Tipifarnib Tipifarnib

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And 4 More

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 8 0.33 Binding ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 75 0.29 Binding ≤ 10μM
PGTB1-1-E Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 1100 0.25 Binding ≤ 10μM
Q5EI73-1-E Protein Farnesyltransferase Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 17 0.32 Binding ≤ 10μM
Q5EI74-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 17 0.32 Binding ≤ 10μM
FNTA-1-E Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 100 0.29 Functional ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 100 0.29 Functional ≤ 10μM
CP3A4-2-E Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic Eukaryotes 4060 0.22 ADME/T ≤ 10μM
Z50466-2-O Trypanosoma Cruzi (cluster #2 Of 8), Other Other 4 0.35 Functional ≤ 10μM
Z80951-1-O NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other Other 2 0.36 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) 5.09 13.62 -14.28 2 5 0 66 489.406 4 ↓
Mid Mid (pH 6-8) 5.09 14.08 -48.31 3 5 1 67 490.414 4 ↓
Lo Low (pH 4.5-6) 5.09 14.29 -131.87 4 5 2 69 491.422 4 ↓

Parameters Provided:

target.name = Q5EI74-1-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 'Q5EI74-1-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=Q5EI74-1-E&target.type=B10&filter.purchasability=purchasable

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