UCSF

ZINC36330303

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 30 Yes

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) 6.84 15.24 -50.98 0 3 -1 57 417.654 8
Lo Low (pH 4.5-6) 6.84 13.28 -5.64 1 3 0 54 418.662 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FNTA-3-E Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 900 0.28 Binding ≤ 10μM
FNTB-3-E Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 900 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FNTB_RAT Q02293 Protein Farnesyltransferase Beta Subunit, Rat 900 0.28 Binding ≤ 1μM
FNTB_HUMAN P49356 Protein Farnesyltransferase Beta Subunit, Human 900 0.28 Binding ≤ 1μM
FNTA_RAT Q04631 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat 900 0.28 Binding ≤ 1μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 900 0.28 Binding ≤ 1μM
FNTB_RAT Q02293 Protein Farnesyltransferase Beta Subunit, Rat 900 0.28 Binding ≤ 10μM
FNTB_HUMAN P49356 Protein Farnesyltransferase Beta Subunit, Human 900 0.28 Binding ≤ 10μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 900 0.28 Binding ≤ 10μM
FNTA_RAT Q04631 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat 900 0.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Apoptotic cleavage of cellular proteins
Inactivation, recovery and regulation of the phototransduction cascade

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