UCSF

ZINC14945941

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 39 Yes

Popular Name: N-[(1S)-1-[[(1S,2S)-3-[[(1R)-2-amino-1-benzyl-2-oxo-ethyl]amino]-1-benzyl-2-hydroxy-propyl]carbamoyl N-[(1S)-1-[[(1S,2S)-3-[[(1R)-2-a…

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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) 2.19 5.73 -52.87 7 9 1 151 532.665 14 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLM1-1-E Plasmepsin 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.18 Binding ≤ 10μM
PLM2-1-E Plasmepsin 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 3500 0.20 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLM1_PLAFA P39898 Plasmepsin 1, Plafa 8000 0.18 Binding ≤ 10μM
PLM2_PLAFA P46925 Plasmepsin 2, Plafa 3500 0.20 Binding ≤ 10μM

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