UCSF

ZINC36160491

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 41 No

Popular Name: (2R)-2-amino-N-[(1S,4R)-4-[[4-[(1R)-1-methylpropoxy]phenyl]methyl]-2,5,9-trioxo-3,6,10-triazacyclote (2R)-2-amino-N-[(1S,4R)-4-[[4-[(…

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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) 1.66 5.96 -51.78 7 10 1 153 566.723 9 ↓
Mid Mid (pH 6-8) 1.66 5.67 -14.5 6 10 0 152 565.715 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTLR-1-E Motilin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 480 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTLR_HUMAN O43193 Motilin Receptor, Human 480 0.22 Binding ≤ 1μM
MTLR_HUMAN O43193 Motilin Receptor, Human 480 0.22 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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