UCSF

ZINC13675984

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 25 Yes

Popular Name: (2S,4R)-1-[(2S)-2-aminobutanoyl]-4-benzyl-N-butyl-pyrrolidine-2-carboxamide (2S,4R)-1-[(2S)-2-aminobutanoyl]…

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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) 3.14 6.6 -48.55 4 5 1 77 346.495 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TPP2-1-E Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic Eukaryotes 140 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TPP2_RAT Q64560 Tripeptidyl Aminopeptidase, Rat 140 0.38 Binding ≤ 1μM
TPP2_RAT Q64560 Tripeptidyl Aminopeptidase, Rat 140 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Antigen processing: Ubiquitination & Proteasome degradation

Rings

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

No pre-computed analogs available. Try a structural similarity search.