UCSF

ZINC36160404

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 45 No

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

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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) 3.41 6.75 -46.59 8 10 1 164 622.831 8 ↓
Mid Mid (pH 6-8) 3.41 6.46 -14.77 7 10 0 163 621.823 8 ↓

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 460 0.20 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTLR_HUMAN O43193 Motilin Receptor, Human 460 0.20 Binding ≤ 1μM
MTLR_HUMAN O43193 Motilin Receptor, Human 460 0.20 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% )