UCSF

ZINC38141241

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 31 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) -1.26 9.09 -86.61 4 9 0 131 442.545 12
Hi High (pH 8-9.5) -1.26 9.62 -79.43 4 9 0 131 442.545 12
Mid Mid (pH 6-8) -1.26 9.55 -63.45 3 9 -1 130 441.537 12
Mid Mid (pH 6-8) -1.26 8.53 -60.64 3 9 -1 130 441.537 12
Mid Mid (pH 6-8) -1.26 9.64 -79.89 4 9 0 131 442.545 12
Mid Mid (pH 6-8) -1.26 9.06 -60.66 3 9 -1 130 441.537 12
Lo Low (pH 4.5-6) -1.26 9.63 -127.19 5 9 1 132 443.553 12
Lo Low (pH 4.5-6) -1.26 9.72 -122.8 5 9 1 132 443.553 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0817630A1; US5534537; US5578629; WO1996030015A1 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 2), Eukaryotic Eukaryotes 870 0.27 Functional ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 870 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FNTB_HUMAN P49356 Protein Farnesyltransferase Beta Subunit, Human 870 0.27 Functional ≤ 10μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 870 0.27 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% )