UCSF

ZINC36330506

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 41 No

Popular Name: 6-[[(S)-[4-cyano-3-[2-(trifluoromethyl)phenyl]phenyl]-(3-methylimidazol-4-yl)methoxy]methyl]-2-[(3S) 6-[[(S)-[4-cyano-3-[2-(trifluoro…

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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) 3.31 13.34 -21.24 1 8 0 111 558.564 8 ↓
Mid Mid (pH 6-8) 3.31 13.85 -58.09 2 8 1 112 559.572 8 ↓

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 970 0.21 Binding ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 4 0.29 Binding ≤ 10μM
PGTB1-1-E Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 970 0.21 Binding ≤ 10μM
FNTA-1-E Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 120 0.24 Functional ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 120 0.24 Functional ≤ 10μM
Z80951-1-O NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other Other 120 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGTB1_BOVIN Q5EAD5 Geranylgeranyl Transferase Type I Beta Subunit, Bovin 970 0.21 Binding ≤ 1μM
FNTB_BOVIN P49355 Protein Farnesyltransferase Beta Subunit, Bovin 3.5 0.29 Binding ≤ 1μM
FNTA_BOVIN P29702 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Bovin 3.5 0.29 Binding ≤ 1μM
PGTB1_BOVIN Q5EAD5 Geranylgeranyl Transferase Type I Beta Subunit, Bovin 970 0.21 Binding ≤ 10μM
FNTB_BOVIN P49355 Protein Farnesyltransferase Beta Subunit, Bovin 3.5 0.29 Binding ≤ 10μM
FNTA_BOVIN P29702 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Bovin 3.5 0.29 Binding ≤ 10μM
Z80951 Z80951 NIH3T3 (Fibroblasts) 120 0.24 Functional ≤ 10μM
FNTB_MOUSE Q8K2I1 Protein Farnesyltransferase Beta Subunit, Mouse 120 0.24 Functional ≤ 10μM
FNTA_MOUSE Q61239 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Mouse 120 0.24 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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

No pre-computed analogs available. Try a structural similarity search.