| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 30 | Yes |
Popular Name: (3S)-3-[[3-[[4-(TRIFLUOROMETHYL)BENZOYL]AMINO]PHENYL]METHOXY]-L-ASPARTIC ACID (3S)-3-[[3-[[4-(TRIFLUOROMETHYL)…
Find On: PubMed — Wikipedia — Google
CAS Number: 480439-73-4
| 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) | -0.46 | 7.84 | -66.65 | 4 | 8 | -1 | 146 | 425.339 | 9 | ↓ |
| Lo Low (pH 4.5-6) | -0.46 | 5.87 | -40.89 | 5 | 8 | 0 | 143 | 426.347 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EAA2-1-E | Excitatory Amino Acid Transporter 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 17 | 0.36 | Binding ≤ 10μM |
| EAA3-1-E | Excitatory Amino Acid Transporter 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 300 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EAA2_HUMAN | P43004 | Excitatory Amino Acid Transporter 2, Human | 17 | 0.36 | Binding ≤ 1μM |
| EAA3_HUMAN | P43005 | Excitatory Amino Acid Transporter 3, Human | 300 | 0.30 | Binding ≤ 1μM |
| EAA2_HUMAN | P43004 | Excitatory Amino Acid Transporter 2, Human | 17 | 0.36 | Binding ≤ 10μM |
| EAA3_HUMAN | P43005 | Excitatory Amino Acid Transporter 3, Human | 300 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Astrocytic Glutamate-Glutamine Uptake And Metabolism | |
| Glutamate Neurotransmitter Release Cycle | |
| Transport of inorganic cations/anions and amino acids/oligopeptides |
No pre-computed analogs available. Try a structural similarity search.
