UCSF

ZINC13798363

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 28 Yes

Popular Name: (2S)-1-[(2S)-1-[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-car (2S)-1-[(2S)-1-[(2S,3R)-3-amino-…

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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) -0.89 3.4 -44.97 6 8 1 132 389.476 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-1-E Leucine Aminopeptidase (cluster #1 Of 2), Eukaryotic Eukaryotes 2500 0.28 Binding ≤ 10μM
PEPD-2-E Xaa-Pro Dipeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 2200 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPL_HUMAN P28838 Leucine Aminopeptidase, Human 2500 0.28 Binding ≤ 10μM
PEPD_HUMAN P12955 Xaa-Pro Dipeptidase, Human 2200 0.28 Binding ≤ 10μM

Rings

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