UCSF

ZINC36330446

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 34 No

Popular Name: (2R)-2-[[(2R,4S)-1-[(E,4R)-4-amino-5-sulfanyl-pent-2-enyl]-4-(3,4-dimethoxyphenoxy)pyrrolidine-2-car (2R)-2-[[(2R,4S)-1-[(E,4R)-4-ami…

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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) -0.84 6.28 -81.92 4 9 0 128 513.682 14 ↓
Hi High (pH 8-9.5) -0.84 6.09 -55.97 3 9 -1 126 512.674 14 ↓
Hi High (pH 8-9.5) -0.84 6.89 -88.62 4 9 -1 128 512.674 14 ↓
Mid Mid (pH 6-8) -0.84 8.44 -127.87 5 9 1 129 514.69 14 ↓

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 450 0.26 Binding ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 450 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FNTB_BOVIN P49355 Protein Farnesyltransferase Beta Subunit, Bovin 450 0.26 Binding ≤ 1μM
FNTA_BOVIN P29702 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Bovin 450 0.26 Binding ≤ 1μM
FNTB_BOVIN P49355 Protein Farnesyltransferase Beta Subunit, Bovin 450 0.26 Binding ≤ 10μM
FNTA_BOVIN P29702 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Bovin 450 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
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.