UCSF

ZINC24613787

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

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) 3.76 4.93 -45.96 2 4 -1 81 301.343 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FDFT-3-E Squalene Synthetase (cluster #3 Of 4), Eukaryotic Eukaryotes 2300 0.39 Binding ≤ 10μM
FNTA-2-E Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.58 Binding ≤ 10μM
FNTB-2-E Protein Farnesyltransferase Beta Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FNTB_HUMAN P49356 Protein Farnesyltransferase Beta Subunit, Human 5.2 0.58 Binding ≤ 1μM
FNTB_BOVIN P49355 Protein Farnesyltransferase Beta Subunit, Bovin 410 0.45 Binding ≤ 1μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 5.2 0.58 Binding ≤ 1μM
FNTA_BOVIN P29702 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Bovin 410 0.45 Binding ≤ 1μM
FNTB_BOVIN P49355 Protein Farnesyltransferase Beta Subunit, Bovin 410 0.45 Binding ≤ 10μM
FNTB_HUMAN P49356 Protein Farnesyltransferase Beta Subunit, Human 5.2 0.58 Binding ≤ 10μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 5.2 0.58 Binding ≤ 10μM
FNTA_BOVIN P29702 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Bovin 410 0.45 Binding ≤ 10μM
FDFT_RAT Q02769 Squalene Synthetase, Rat 2300 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Apoptotic cleavage of cellular proteins
Cholesterol biosynthesis
Inactivation, recovery and regulation of the phototransduction cascade
PPARA activates gene expression

Analogs ( Draw Identity 99% 90% 80% 70% )