UCSF

ZINC36332045

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 22 No

Popular Name: [(1S)-1-amino-2-phenyl-ethyl]-[(1R)-1-amino-3-phenyl-propyl]phosphinic [(1S)-1-amino-2-phenyl-ethyl]-[(…

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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) 2.27 5.51 -80.02 6 4 1 95 319.365 7 ↓
Hi High (pH 8-9.5) 2.27 5.16 -32.17 5 4 0 94 318.357 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPN-5-E Aminopeptidase N (cluster #5 Of 5), Eukaryotic Eukaryotes 710 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPN_HUMAN P15144 Aminopeptidase N, Human 710 0.39 Binding ≤ 1μM
AMPN_HUMAN P15144 Aminopeptidase N, Human 710 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

Rings

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

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