UCSF

ZINC01997134

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 15 No

Popular Name: (RS)-PPG (RS)-PPG

Find On: PubMed — Wikipedia — Google

CAS Numbers: 120667-15-4 , [120667-15-4]

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) -2.51 1.54 -162.59 3 6 -2 131 229.128 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM4-3-E Metabotropic Glutamate Receptor 4 (cluster #3 Of 3), Eukaryotic Eukaryotes 4700 0.50 Binding ≤ 10μM
GRM4-1-E Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 5200 0.49 Functional ≤ 10μM
GRM6-1-E Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic Eukaryotes 4700 0.50 Functional ≤ 10μM
GRM8-2-E Metabotropic Glutamate Receptor 8 (cluster #2 Of 2), Eukaryotic Eukaryotes 210 0.62 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM4_HUMAN Q14833 Metabotropic Glutamate Receptor 4, Human 4700 0.50 Binding ≤ 10μM
GRM4_HUMAN Q14833 Metabotropic Glutamate Receptor 4, Human 3200 0.51 Functional ≤ 10μM
GRM4_RAT P31423 Metabotropic Glutamate Receptor 4, Rat 5200 0.49 Functional ≤ 10μM
GRM6_RAT P35349 Metabotropic Glutamate Receptor 6, Rat 4700 0.50 Functional ≤ 10μM
GRM6_HUMAN O15303 Metabotropic Glutamate Receptor 6, Human 4700 0.50 Functional ≤ 10μM
GRM8_RAT P70579 Metabotropic Glutamate Receptor 8, Rat 210 0.62 Functional ≤ 10μM
GRM8_HUMAN O00222 Metabotropic Glutamate Receptor 8, Human 210 0.62 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% )