UCSF

ZINC02568218

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) -2.69 2.22 -74.96 3 5 -1 108 158.133 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 380 0.82 Binding ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 454 0.81 Binding ≤ 10μM
GRM2-1-E Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 490 0.80 Functional ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 440 0.81 Functional ≤ 10μM
GRM4-1-E Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 4000 0.69 Functional ≤ 10μM
GRM5-5-E Metabotropic Glutamate Receptor 5 (cluster #5 Of 5), Eukaryotic Eukaryotes 3100 0.70 Functional ≤ 10μM
GRM6-1-E Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.79 Functional ≤ 10μM
GRM8-1-E Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic Eukaryotes 400 0.81 Functional ≤ 10μM
Z50597-7-O Rattus Norvegicus (cluster #7 Of 12), Other Other 700 0.78 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 380 0.82 Binding ≤ 1μM
GRM2_RAT P31421 Metabotropic Glutamate Receptor 2, Rat 454 0.81 Binding ≤ 1μM
GRM3_RAT P31422 Metabotropic Glutamate Receptor 3, Rat 454 0.81 Binding ≤ 1μM
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 380 0.82 Binding ≤ 10μM
GRM2_RAT P31421 Metabotropic Glutamate Receptor 2, Rat 454 0.81 Binding ≤ 10μM
GRM3_RAT P31422 Metabotropic Glutamate Receptor 3, Rat 454 0.81 Binding ≤ 10μM
GRM2_RAT P31421 Metabotropic Glutamate Receptor 2, Rat 300 0.83 Functional ≤ 10μM
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 490 0.80 Functional ≤ 10μM
GRM3_HUMAN Q14832 Metabotropic Glutamate Receptor 3, Human 440 0.81 Functional ≤ 10μM
GRM3_RAT P31422 Metabotropic Glutamate Receptor 3, Rat 600 0.79 Functional ≤ 10μM
GRM4_RAT P31423 Metabotropic Glutamate Receptor 4, Rat 4000 0.69 Functional ≤ 10μM
GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 3100 0.70 Functional ≤ 10μM
GRM6_HUMAN O15303 Metabotropic Glutamate Receptor 6, Human 5800 0.67 Functional ≤ 10μM
GRM6_RAT P35349 Metabotropic Glutamate Receptor 6, Rat 600 0.79 Functional ≤ 10μM
GRM8_HUMAN O00222 Metabotropic Glutamate Receptor 8, Human 3400 0.70 Functional ≤ 10μM
GRM8_RAT P70579 Metabotropic Glutamate Receptor 8, Rat 400 0.81 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 1100 0.76 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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