UCSF

ZINC26470631

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 35 No

Popular Name: (2R)-5-amino-2-[[(3S)-2-[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-3,3-dimethyl-butanoyl]3,4-di (2R)-5-amino-2-[[(3S)-2-[(2S)-2-…

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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) -2.14 3.36 -106.4 7 10 0 172 507.657 12 ↓
Hi High (pH 8-9.5) -2.14 3.83 -101.33 7 10 -1 172 506.649 12 ↓
Hi High (pH 8-9.5) -2.14 3.03 -67.59 6 10 -1 171 506.649 12 ↓
Mid Mid (pH 6-8) -2.14 4.2 -195.71 8 10 1 177 508.665 12 ↓
Mid Mid (pH 6-8) -2.14 3.9 -101.36 7 10 0 175 507.657 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 3 0.34 Binding ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 3 0.34 Binding ≤ 10μM
PGTB1-1-E Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 1400 0.23 Binding ≤ 10μM
Z80951-1-O NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other Other 190 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FNTB_HUMAN P49356 Protein Farnesyltransferase Beta Subunit, Human 2.8 0.34 Binding ≤ 1μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 2.8 0.34 Binding ≤ 1μM
PGTB1_HUMAN P53609 Geranylgeranyl Transferase Type I Beta Subunit, Human 1400 0.23 Binding ≤ 10μM
FNTB_HUMAN P49356 Protein Farnesyltransferase Beta Subunit, Human 2.8 0.34 Binding ≤ 10μM
FNTA_HUMAN P49354 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human 1400 0.23 Binding ≤ 10μM
Z80951 Z80951 NIH3T3 (Fibroblasts) 190 0.27 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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