UCSF

ZINC29465765

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 44 No

Popular Name: (2R)-N-[[4-[(2-naphthylsulfonylamino)methyl]cyclohexyl]methyl]-3-phenyl-2-(p-tolylsulfonylamino)prop (2R)-N-[[4-[(2-naphthylsulfonyla…

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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) 5.91 10.81 -26.72 3 8 0 121 633.836 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPY5R-2-E Neuropeptide Y Receptor Type 5 (cluster #2 Of 2), Eukaryotic Eukaryotes 199 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NPY5R_HUMAN Q15761 Neuropeptide Y Receptor Type 5, Human 199 0.21 Binding ≤ 1μM
NPY5R_HUMAN Q15761 Neuropeptide Y Receptor Type 5, Human 199 0.21 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Peptide ligand-binding receptors

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