UCSF

ZINC03952370

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 13 No

Popular Name: DNC007064 DNC007064

Find On: PubMed — Wikipedia — Google

CAS Number: 222529-89-7

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) -2.49 -3.4 -70.4 3 5 -1 107 202.211 2 ↓

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 819 0.66 Binding ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.87 Binding ≤ 10μM
GRM2-1-E Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.90 Functional ≤ 10μM
GRM2-1-E Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.90 Functional ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 8 0.87 Functional ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 8 0.87 Functional ≤ 10μM
GRM6-1-E Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic Eukaryotes 2400 0.61 Functional ≤ 10μM
GRM6-1-E Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic Eukaryotes 2430 0.60 Functional ≤ 10μM
GRM8-1-E Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic Eukaryotes 7300 0.55 Functional ≤ 10μM
GRM8-1-E Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic Eukaryotes 7340 0.55 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 40.6 0.80 Binding ≤ 1μM
GRM2_RAT P31421 Metabotropic Glutamate Receptor 2, Rat 26.1 0.82 Binding ≤ 1μM
GRM3_HUMAN Q14832 Metabotropic Glutamate Receptor 3, Human 170 0.73 Binding ≤ 1μM
GRM3_RAT P31422 Metabotropic Glutamate Receptor 3, Rat 26.1 0.82 Binding ≤ 1μM
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 40.6 0.80 Binding ≤ 10μM
GRM2_RAT P31421 Metabotropic Glutamate Receptor 2, Rat 26.1 0.82 Binding ≤ 10μM
GRM3_HUMAN Q14832 Metabotropic Glutamate Receptor 3, Human 170 0.73 Binding ≤ 10μM
GRM3_RAT P31422 Metabotropic Glutamate Receptor 3, Rat 26.1 0.82 Binding ≤ 10μM
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 3.9 0.91 Functional ≤ 10μM
GRM3_HUMAN Q14832 Metabotropic Glutamate Receptor 3, Human 7.6 0.87 Functional ≤ 10μM
GRM6_HUMAN O15303 Metabotropic Glutamate Receptor 6, Human 2430 0.60 Functional ≤ 10μM
GRM8_HUMAN O00222 Metabotropic Glutamate Receptor 8, Human 7340 0.55 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% )