UCSF

ZINC13677293

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 25 Yes

Popular Name: 2-[[3-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-5-iodo-2,6-dioxo-pyrimidin-1-yl]methyl]benzoic 2-[[3-[(2S)-2-amino-3-hydroxy-3-…

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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) -1.76 5.89 -96.68 3 9 -1 152 458.188 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRIK1-1-E Glutamate Receptor Ionotropic Kainate 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 209 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRIK1_RAT P22756 Glutamate Receptor Ionotropic Kainate 1, Rat 209 0.37 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Ca-permeable Kainate Receptor
Activation of Na-permeable Kainate Receptors

Rings

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

No pre-computed analogs available. Try a structural similarity search.