UCSF

ZINC13644419

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 14 Yes

Popular Name: (1S,2S,4S,5R,6S)-2-amino-4-methyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic (1S,2S,4S,5R,6S)-2-amino-4-methy…

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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) -1.49 2.19 -79.99 3 5 -1 108 198.198 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 635 0.62 Binding ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 511 0.63 Binding ≤ 10μM
GRM2-1-E Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 45 0.73 Functional ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 34 0.75 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 635 0.62 Binding ≤ 1μM
GRM3_HUMAN Q14832 Metabotropic Glutamate Receptor 3, Human 511 0.63 Binding ≤ 1μM
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 635 0.62 Binding ≤ 10μM
GRM3_HUMAN Q14832 Metabotropic Glutamate Receptor 3, Human 511 0.63 Binding ≤ 10μM
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 45 0.73 Functional ≤ 10μM
GRM3_HUMAN Q14832 Metabotropic Glutamate Receptor 3, Human 34 0.75 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% )