UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

603832
603832

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Popular Name: 4-[[5-[[[(5S)-4-oxo-3-phenyl-2,5-dihydro-1H-3-benzazepin-5-yl]amino]methyl]imidazol-1-yl]methyl]benz 4-[[5-[[[(5S)-4-oxo-3-phenyl-2,5…

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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 54 0.30 Binding ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 54 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FNTB_HUMAN P49356 Protein Farnesyltransferase Beta Subunit, Human 54 0.30 Binding ≤ 1μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 54 0.30 Binding ≤ 1μM
FNTB_HUMAN P49356 Protein Farnesyltransferase Beta Subunit, Human 54 0.30 Binding ≤ 10μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 54 0.30 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) 3.77 14.74 -16.29 1 6 0 74 447.542 6 ↓
Mid Mid (pH 6-8) 3.77 15.25 -51.54 2 6 1 75 448.55 6 ↓

Analogs

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Popular Name: 1-amino-3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one 1-amino-3-methyl-4,5-dihydro-1H-…

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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) -1.23 3.03 -7.96 2 3 0 46 190.246 0 ↓
Mid Mid (pH 6-8) -1.23 3.06 -38.83 3 3 1 48 191.254 0 ↓

Analogs

45673150
45673150

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Popular Name: LS-193573 LS-193573

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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) 0.26 4.16 -17.62 3 7 0 99 361.442 5 ↓

Parameters Provided:

ring.id = 88292
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 = 88292 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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