UCSF

ZINC26568279

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 31 Yes

Popular Name: (2S,4S)-2,4-dibenzyl-5-[[(1S)-1-carboxy-3-methyl-butyl]amino]-5-oxo-pentanoic (2S,4S)-2,4-dibenzyl-5-[[(1S)-1-…

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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) 2.71 12.66 -127.39 1 6 -2 109 423.509 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NEP-2-E Neprilysin (cluster #2 Of 2), Eukaryotic Eukaryotes 40 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NEP_RAT P07861 Neprilysin, Rat 40 0.33 Binding ≤ 1μM
NEP_RAT P07861 Neprilysin, Rat 40 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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