UCSF

ZINC13491613

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 34 Yes

Popular Name: [4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]phenyl]-[(2S)-2-(pyrrolidine-1-carbonyl)py [4-[(2S)-2-(pyrrolidine-1-carbon…

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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) 0.16 10.77 -36.84 0 8 0 81 466.582 4 ↓

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 81 0.29 Binding ≤ 10μM
PPCE-1-E Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic Eukaryotes 81 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PPCE_HUMAN P48147 Prolyl Endopeptidase, Human 81 0.29 Binding ≤ 1μM
PPCE_PIG P23687 Prolyl Endopeptidase, Pig 81 0.29 Binding ≤ 1μM
PPCE_HUMAN P48147 Prolyl Endopeptidase, Human 81 0.29 Binding ≤ 10μM
PPCE_PIG P23687 Prolyl Endopeptidase, Pig 81 0.29 Binding ≤ 10μM

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