UCSF

ZINC20112395

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 No

Popular Name: (2R)-2-amino-4-(2-carboxyethyl-hydroxy-phosphoryl)butanoic (2R)-2-amino-4-(2-carboxyethyl-h…

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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) -4.17 -0.22 -135.1 3 7 -2 148 237.148 7 ↓
Lo Low (pH 4.5-6) -4.17 -1.34 -75.98 4 7 -1 145 238.156 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM4-1-E Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 7100 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM4_RAT P31423 Metabotropic Glutamate Receptor 4, Rat 7100 0.48 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% )

No pre-computed analogs available. Try a structural similarity search.