UCSF

ZINC26184294

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 30 No

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

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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) -0.49 8.35 -125.6 5 7 1 111 454.638 12 ↓
Hi High (pH 8-9.5) -0.49 8.07 -63.81 4 7 0 109 453.63 12 ↓
Hi High (pH 8-9.5) -0.49 6.09 -80.88 4 7 0 109 453.63 12 ↓
Hi High (pH 8-9.5) -0.49 5.82 -57.28 3 7 -1 108 452.622 12 ↓
Hi High (pH 8-9.5) -0.49 7.75 -78.44 4 7 -1 109 452.622 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 8000 0.24 Binding ≤ 10μM
FNTB-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 4000 0.25 Binding ≤ 10μM
PGTB1-1-E Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 0.24 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 8000 0.24 Binding ≤ 10μM
FNTB_BOVIN P49355 Protein Farnesyltransferase Beta Subunit, Bovin 4000 0.25 Binding ≤ 10μM
FNTA_BOVIN P29702 Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Bovin 4000 0.25 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% )