UCSF

ZINC22938240

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 35 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) -2.14 4.15 -105.46 7 10 0 172 507.657 12
Hi High (pH 8-9.5) -2.14 4.61 -102.24 7 10 -1 172 506.649 12
Hi High (pH 8-9.5) -2.14 3.83 -75.54 6 10 -1 171 506.649 12
Mid Mid (pH 6-8) -2.14 4.72 -92.15 7 10 0 175 507.657 12

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 3 0.34 Binding ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
PGTB1-1-E Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 1400 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FNTB_RAT Q02293 Protein Farnesyltransferase Beta Subunit, Rat 2.8 0.34 Binding ≤ 1μM
FNTA_RAT Q04631 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat 2.8 0.34 Binding ≤ 1μM
PGTB1_HUMAN P53609 Geranylgeranyl Transferase Type I Beta Subunit, Human 1400 0.23 Binding ≤ 10μM
FNTB_RAT Q02293 Protein Farnesyltransferase Beta Subunit, Rat 2.8 0.34 Binding ≤ 10μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 1400 0.23 Binding ≤ 10μM
FNTA_RAT Q04631 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat 2.8 0.34 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% )