UCSF

ZINC13528051

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 Yes

Popular Name: N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carb N-[(1S)-1-methyl-2-oxo-2-pyrroli…

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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) 0.30 7.27 -27.59 1 8 0 90 440.544 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPCE-1-E Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic Eukaryotes 39 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PPCE_HUMAN P48147 Prolyl Endopeptidase, Human 39 0.32 Binding ≤ 1μM
PPCE_PIG P23687 Prolyl Endopeptidase, Pig 39 0.32 Binding ≤ 1μM
PPCE_HUMAN P48147 Prolyl Endopeptidase, Human 39 0.32 Binding ≤ 10μM
PPCE_PIG P23687 Prolyl Endopeptidase, Pig 39 0.32 Binding ≤ 10μM

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