| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 10 | No |
Popular Name: CPD-10011; demethyl-phosphinothricin; demethylphosphinothricin CPD-10011; demethyl-phosphinothr…
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CAS Number: 85178-62-7
(2S)-2-Amino-4-(hydroxyphosphinyl)butanoic acid; 85178-62-7; C17962; Demethylphosphinothricin
| 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) | -4.74 | -1.63 | -75.51 | 3 | 5 | -1 | 108 | 166.093 | 4 | ↓ |
| Hi High (pH 8-9.5) | -4.74 | -0.9 | -95.14 | 2 | 5 | -2 | 106 | 165.085 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM4-1-E | Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4050 | 0.75 | Functional ≤ 10μM |
| GRM8-2-E | Metabotropic Glutamate Receptor 8 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1720 | 0.81 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM4_RAT | P31423 | Metabotropic Glutamate Receptor 4, Rat | 4050 | 0.75 | Functional ≤ 10μM |
| GRM8_RAT | P70579 | Metabotropic Glutamate Receptor 8, Rat | 1720 | 0.81 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class C/3 (Metabotropic glutamate/pheromone receptors) | |
| G alpha (i) signalling events |
