UCSF

ZINC05579304

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 29 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) 0.47 8.41 -93.2 5 6 0 109 433.599 11
Hi High (pH 8-9.5) 0.47 9.03 -87.61 5 6 -1 109 432.591 11
Hi High (pH 8-9.5) 0.47 8.08 -57.51 4 6 -1 107 432.591 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1998043629A1 IBM Patent Data

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 1 0.43 Binding ≤ 10μM
FNTA-1-E Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 2 0.42 Binding ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 1 0.43 Binding ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 2 0.42 Binding ≤ 10μM
FNTA-1-E Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.29 Functional ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.29 Functional ≤ 10μM
Z80211-2-O LoVo (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other Other 50 0.35 Functional ≤ 10μM
Z80951-1-O NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other Other 1000 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FNTB_HUMAN P49356 Protein Farnesyltransferase Beta Subunit, Human 0.5 0.45 Binding ≤ 1μM
FNTB_BOVIN P49355 Protein Farnesyltransferase Beta Subunit, Bovin 0.5 0.45 Binding ≤ 1μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 0.5 0.45 Binding ≤ 1μM
FNTA_BOVIN P29702 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Bovin 0.5 0.45 Binding ≤ 1μM
FNTB_BOVIN P49355 Protein Farnesyltransferase Beta Subunit, Bovin 0.5 0.45 Binding ≤ 10μM
FNTB_HUMAN P49356 Protein Farnesyltransferase Beta Subunit, Human 0.5 0.45 Binding ≤ 10μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 0.5 0.45 Binding ≤ 10μM
FNTA_BOVIN P29702 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Bovin 0.5 0.45 Binding ≤ 10μM
Z80211 Z80211 LoVo (Colon Adenocarcinoma Cells) 50 0.35 Functional ≤ 10μM
Z80951 Z80951 NIH3T3 (Fibroblasts) 1000 0.29 Functional ≤ 10μM
FNTB_MOUSE Q8K2I1 Protein Farnesyltransferase Beta Subunit, Mouse 1000 0.29 Functional ≤ 10μM
FNTB_HUMAN P49356 Protein Farnesyltransferase Beta Subunit, Human 0.5 0.45 Functional ≤ 10μM
FNTA_MOUSE Q61239 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Mouse 1000 0.29 Functional ≤ 10μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 0.5 0.45 Functional ≤ 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% )