UCSF

ZINC36330345

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 31 No

Popular Name: (3R,3aR,5aR,6R,9aR,9bS)-6-(2-carboxyethyl)-3-[(1S)-1,5-dimethylhexyl]-3a,6-dimethyl-2,3,4,5,5a,9,9a, (3R,3aR,5aR,6R,9aR,9bS)-6-(2-car…

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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) 6.63 15.81 -121.13 0 4 -2 80 430.629 9 ↓
Mid Mid (pH 6-8) 6.63 14.12 -50.35 1 4 -1 77 431.637 9 ↓
Lo Low (pH 4.5-6) 6.63 12.14 -8.03 2 4 0 75 432.645 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FNTA-3-E Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 8000 0.23 Binding ≤ 10μM
FNTB-3-E Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 8000 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FNTB_HUMAN P49356 Protein Farnesyltransferase Beta Subunit, Human 8000 0.23 Binding ≤ 10μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 8000 0.23 Binding ≤ 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% )