UCSF

ZINC28004647

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 37 No

Popular Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-(2-na (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-…

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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) -0.53 6.92 -84.57 6 9 0 155 548.731 14 ↓
Mid Mid (pH 6-8) -0.53 6.59 -54.76 5 9 -1 153 547.723 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 12 0.30 Binding ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 12 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FNTB_RAT Q02293 Protein Farnesyltransferase Beta Subunit, Rat 12 0.30 Binding ≤ 1μM
FNTA_RAT Q04631 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat 12 0.30 Binding ≤ 1μM
FNTB_RAT Q02293 Protein Farnesyltransferase Beta Subunit, Rat 12 0.30 Binding ≤ 10μM
FNTA_RAT Q04631 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat 12 0.30 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% )

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