UCSF

ZINC13910898

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 15 No

Popular Name: N/A N/A

Find On: PubMed — Wikipedia — Google

CAS Numbers: 635318-11-5 , [635318-11-5] , [635318-55-7]

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) -3.61 -2.06 -73.37 3 7 -1 142 234.209 2 ↓

Vendor Notes

Note Type Comments Provided By
Target GluR Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM2-1-E Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 149 0.64 Binding ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 92 0.66 Binding ≤ 10μM
GRM2-1-E Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 23 0.71 Functional ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 48 0.68 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 149 0.64 Binding ≤ 1μM
GRM3_HUMAN Q14832 Metabotropic Glutamate Receptor 3, Human 92 0.66 Binding ≤ 1μM
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 149 0.64 Binding ≤ 10μM
GRM3_HUMAN Q14832 Metabotropic Glutamate Receptor 3, Human 92 0.66 Binding ≤ 10μM
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 23.4 0.71 Functional ≤ 10μM
GRM3_HUMAN Q14832 Metabotropic Glutamate Receptor 3, Human 48 0.68 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class C/3 (Metabotropic glutamate/pheromone receptors)
G alpha (i) signalling events

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

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