UCSF

ZINC38145309

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 14 Yes

Popular Name: 1,2-Cyclopropanedicarboxylic acid, 3-(aminocarboxymethyl)-, (1R-(1alpha,2beta,3alpha(S*)))-; 2-(2,3-dicarboxycyclopropyl)glycine; C7H9NO6; DCG-IV; LS-173314 1,2-Cyclopropanedicarboxylic aci…

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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) -3.21 2.95 -126.68 3 7 -2 148 201.134 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6084084 IBM Patent Data

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 110 0.70 Binding ≤ 10μM
GRM2-1-E Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 300 0.65 Binding ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.65 Binding ≤ 10μM
GRM2-1-E Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 45 0.73 Functional ≤ 10μM
GRM2-1-E Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 100 0.70 Functional ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 100 0.70 Functional ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 200 0.67 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 110 0.70 Binding ≤ 1μM
GRM2_RAT P31421 Metabotropic Glutamate Receptor 2, Rat 300 0.65 Binding ≤ 1μM
GRM3_RAT P31422 Metabotropic Glutamate Receptor 3, Rat 300 0.65 Binding ≤ 1μM
GRM2_RAT P31421 Metabotropic Glutamate Receptor 2, Rat 300 0.65 Binding ≤ 10μM
GRM2_HUMAN Q14416 Metabotropic Glutamate Receptor 2, Human 110 0.70 Binding ≤ 10μM
GRM3_RAT P31422 Metabotropic Glutamate Receptor 3, Rat 300 0.65 Binding ≤ 10μM
GRM2_RAT P31421 Metabotropic Glutamate Receptor 2, Rat 300 0.65 Functional ≤ 10μM
GRM3_RAT P31422 Metabotropic Glutamate Receptor 3, Rat 200 0.67 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% )