UCSF

ZINC14243981

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 39 No

Popular Name: LS-105744 LS-105744

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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) 5.53 17.78 -54.03 4 5 1 83 583.865 18 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPN-2-E Aminopeptidase N (cluster #2 Of 5), Eukaryotic Eukaryotes 11 0.29 Binding ≤ 10μM
NEP-2-E Neprilysin (cluster #2 Of 2), Eukaryotic Eukaryotes 2 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPN_HUMAN P15144 Aminopeptidase N, Human 11 0.29 Binding ≤ 1μM
NEP_HUMAN P08473 Neprilysin, Human 2 0.31 Binding ≤ 1μM
AMPN_HUMAN P15144 Aminopeptidase N, Human 11 0.29 Binding ≤ 10μM
NEP_HUMAN P08473 Neprilysin, Human 2 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

Rings

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