UCSF

ZINC03979945

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 45 No

Popular Name: CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccc(cc2)c3ccccc3)C(=O)N)O)NC(=O)c4ccccn4 CC(C)[C@@H](C(=O)N[C@@H](Cc1cccc…

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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) 3.99 -6.64 -55.85 7 9 1 151 608.763 15 ↓

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 68 0.22 Binding ≤ 10μM
PLM2-1-E Plasmepsin 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 117 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLM1_PLAFA P39898 Plasmepsin 1, Plafa 68 0.22 Binding ≤ 1μM
PLM2_PLAFA P46925 Plasmepsin 2, Plafa 117 0.22 Binding ≤ 1μM
PLM1_PLAFA P39898 Plasmepsin 1, Plafa 68 0.22 Binding ≤ 10μM
PLM2_PLAFA P46925 Plasmepsin 2, Plafa 117 0.22 Binding ≤ 10μM

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