UCSF

ZINC27523522

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 12 Yes

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) -3.59 -2.74 -75.36 4 6 -1 128 174.132 3

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 23 0.89 Binding ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.99 Binding ≤ 10μM
GRM2-1-E Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 5 0.97 Functional ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 7 0.95 Functional ≤ 10μM
GRM4-1-E Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 1800 0.67 Functional ≤ 10μM
GRM6-1-E Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic Eukaryotes 147 0.80 Functional ≤ 10μM
GRM8-1-E Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic Eukaryotes 10 0.93 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 23 0.89 Binding ≤ 1μM
GRM3_HUMAN Q14832 Metabotropic Glutamate Receptor 3, Human 3 0.99 Binding ≤ 1μM
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 23 0.89 Binding ≤ 10μM
GRM3_HUMAN Q14832 Metabotropic Glutamate Receptor 3, Human 3 0.99 Binding ≤ 10μM
GRM2_RAT P31421 Metabotropic Glutamate Receptor 2, Rat 4 0.98 Functional ≤ 10μM
GRM3_RAT P31422 Metabotropic Glutamate Receptor 3, Rat 11 0.93 Functional ≤ 10μM
GRM4_RAT P31423 Metabotropic Glutamate Receptor 4, Rat 1800 0.67 Functional ≤ 10μM
GRM6_RAT P35349 Metabotropic Glutamate Receptor 6, Rat 147 0.80 Functional ≤ 10μM
GRM8_RAT P70579 Metabotropic Glutamate Receptor 8, Rat 10 0.93 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% )