| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 14 | Yes |
Popular Name: 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)alanine 3-(2,4-dioxo-3,4-dihydropyrimidi…
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CAS Number: 19772-76-0
3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate
| 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) | -4.25 | -0.34 | -36.55 | 4 | 7 | 0 | 123 | 199.166 | 3 | ↓ |
| Hi High (pH 8-9.5) | -3.82 | -2.81 | -56.06 | 3 | 7 | -1 | 126 | 198.158 | 3 | ↓ |
| Hi High (pH 8-9.5) | -3.82 | -3.11 | -99.45 | 2 | 7 | -2 | 124 | 197.15 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRIA1-2-E | Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1800 | 0.57 | Binding ≤ 10μM |
| GRIA2-4-E | Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 1800 | 0.57 | Binding ≤ 10μM |
| GRIA3-4-E | Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 1800 | 0.57 | Binding ≤ 10μM |
| GRIA4-4-E | Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic | Eukaryotes | 1800 | 0.57 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRIA1_RAT | P19490 | Glutamate Receptor Ionotropic, AMPA 1, Rat | 410 | 0.64 | Binding ≤ 1μM |
| GRIA1_MOUSE | P23818 | Glutamate Receptor Ionotropic, AMPA 1, Mouse | 1800 | 0.57 | Binding ≤ 10μM |
| GRIA1_RAT | P19490 | Glutamate Receptor Ionotropic, AMPA 1, Rat | 410 | 0.64 | Binding ≤ 10μM |
| GRIA2_RAT | P19491 | Glutamate Receptor Ionotropic, AMPA 2, Rat | 1220 | 0.59 | Binding ≤ 10μM |
| GRIA3_RAT | P19492 | Glutamate Receptor Ionotropic, AMPA 3, Rat | 1800 | 0.57 | Binding ≤ 10μM |
| GRIA4_RAT | P19493 | Glutamate Receptor Ionotropic, AMPA 4, Rat | 1800 | 0.57 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of AMPA receptors | |
| Trafficking of GluR2-containing AMPA receptors | |
| Unblocking of NMDA receptor, glutamate binding and activation |
No pre-computed analogs available. Try a structural similarity search.