UCSF

ZINC19632743

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 11 No

Popular Name: DL-2-AMINO-4-PHOSPHONOBUTYRIC ACID DL-2-AMINO-4-PHOSPHONOBUTYRIC ACID

Find On: PubMed — Wikipedia — Google

CAS Numbers: 20263-07-4 , 23052-81-5 , 6323-99-5

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) -4.02 -1.71 -66.95 4 6 -1 128 182.092 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 225-228? Alfa-Aesar
Melting_Point 225-228° Alfa-Aesar
biological_use Antiviral activity IBScreen Bioactives
mechanism Inhibitor of glutamine synthetase and glutamate dehydrogenase IBScreen Bioactives

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 330 0.82 Binding ≤ 10μM
GRM4-3-E Metabotropic Glutamate Receptor 4 (cluster #3 Of 3), Eukaryotic Eukaryotes 500 0.80 Binding ≤ 10μM
GRM6-1-E Metabotropic Glutamate Receptor 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 280 0.83 Binding ≤ 10μM
GRM6-1-E Metabotropic Glutamate Receptor 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 900 0.77 Binding ≤ 10μM
GRM8-1-E Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic Eukaryotes 5 1.06 Binding ≤ 10μM
GRM8-1-E Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 0.73 Binding ≤ 10μM
GRM4-1-E Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 910 0.77 Functional ≤ 10μM
GRM6-1-E Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic Eukaryotes 55 0.92 Functional ≤ 10μM
GRM6-1-E Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.76 Functional ≤ 10μM
GRM8-2-E Metabotropic Glutamate Receptor 8 (cluster #2 Of 2), Eukaryotic Eukaryotes 60 0.92 Functional ≤ 10μM
Z50597-3-O Rattus Norvegicus (cluster #3 Of 5), Other Other 1500 0.74 Binding ≤ 10μM
Z50597-2-O Rattus Norvegicus (cluster #2 Of 12), Other Other 2500 0.71 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM4_RAT P31423 Metabotropic Glutamate Receptor 4, Rat 160 0.86 Binding ≤ 1μM
GRM4_HUMAN Q14833 Metabotropic Glutamate Receptor 4, Human 330 0.82 Binding ≤ 1μM
GRM6_RAT P35349 Metabotropic Glutamate Receptor 6, Rat 340 0.82 Binding ≤ 1μM
GRM6_HUMAN O15303 Metabotropic Glutamate Receptor 6, Human 280 0.83 Binding ≤ 1μM
GRM8_HUMAN O00222 Metabotropic Glutamate Receptor 8, Human 5.1 1.06 Binding ≤ 1μM
GRM8_MOUSE P47743 Metabotropic Glutamate Receptor 8, Mouse 400 0.81 Binding ≤ 1μM
GRM4_HUMAN Q14833 Metabotropic Glutamate Receptor 4, Human 330 0.82 Binding ≤ 10μM
GRM4_RAT P31423 Metabotropic Glutamate Receptor 4, Rat 1200 0.75 Binding ≤ 10μM
GRM6_RAT P35349 Metabotropic Glutamate Receptor 6, Rat 340 0.82 Binding ≤ 10μM
GRM6_HUMAN O15303 Metabotropic Glutamate Receptor 6, Human 280 0.83 Binding ≤ 10μM
GRM8_HUMAN O00222 Metabotropic Glutamate Receptor 8, Human 5.1 1.06 Binding ≤ 10μM
GRM8_RAT P70579 Metabotropic Glutamate Receptor 8, Rat 1900 0.73 Binding ≤ 10μM
GRM8_MOUSE P47743 Metabotropic Glutamate Receptor 8, Mouse 400 0.81 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 1500 0.74 Binding ≤ 10μM
GRM4_HUMAN Q14833 Metabotropic Glutamate Receptor 4, Human 690 0.78 Functional ≤ 10μM
GRM4_RAT P31423 Metabotropic Glutamate Receptor 4, Rat 130 0.88 Functional ≤ 10μM
GRM6_RAT P35349 Metabotropic Glutamate Receptor 6, Rat 1000 0.76 Functional ≤ 10μM
GRM6_HUMAN O15303 Metabotropic Glutamate Receptor 6, Human 900 0.77 Functional ≤ 10μM
GRM8_RAT P70579 Metabotropic Glutamate Receptor 8, Rat 128 0.88 Functional ≤ 10μM
GRM8_HUMAN O00222 Metabotropic Glutamate Receptor 8, Human 560 0.80 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 2500 0.71 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% )