UCSF

ZINC36330444

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 30 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) -0.49 7.27 -79.16 4 7 0 109 453.63 12
Hi High (pH 8-9.5) -0.49 7.81 -86.46 4 7 -1 109 452.622 12
Hi High (pH 8-9.5) -0.49 7.03 -56.29 3 7 -1 108 452.622 12
Mid Mid (pH 6-8) -0.49 9.15 -124.53 5 7 1 111 454.638 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 57 0.34 Binding ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 57 0.34 Binding ≤ 10μM
PGTB1-1-E Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 53 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGTB1_BOVIN Q5EAD5 Geranylgeranyl Transferase Type I Beta Subunit, Bovin 53 0.34 Binding ≤ 1μM
FNTB_BOVIN P49355 Protein Farnesyltransferase Beta Subunit, Bovin 57 0.34 Binding ≤ 1μM
FNTA_BOVIN P29702 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Bovin 53 0.34 Binding ≤ 1μM
PGTB1_BOVIN Q5EAD5 Geranylgeranyl Transferase Type I Beta Subunit, Bovin 53 0.34 Binding ≤ 10μM
FNTB_BOVIN P49355 Protein Farnesyltransferase Beta Subunit, Bovin 3300 0.26 Binding ≤ 10μM
FNTA_BOVIN P29702 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Bovin 3300 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Inactivation, recovery and regulation of the phototransduction cascade

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