UCSF

ZINC01539711

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 35 No

Popular Name: (2S,3S)-N-[(1S)-1-formyl-2-(1H-indol-3-yl)ethyl]-3-methyl-2-(1-naphthylsulfonylamino)valeramide (2S,3S)-N-[(1S)-1-formyl-2-(1H-i…

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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) 4.64 8.95 -23.61 3 7 0 108 491.613 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATL1-1-E Cathepsin L (cluster #1 Of 5), Eukaryotic Eukaryotes 2 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CATL1_HUMAN P07711 Cathepsin L, Human 1.9 0.35 Binding ≤ 1μM
CATL1_HUMAN P07711 Cathepsin L, Human 1.9 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Assembly of collagen fibrils and other multimeric structures
Collagen degradation
Degradation of the extracellular matrix
Endosomal/Vacuolar pathway
MHC class II antigen presentation
Trafficking and processing of endosomal TLR

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