| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 16 | Yes |
Popular Name: Benzoyl-dl-a-alanine ethyl ester Benzoyl-dl-a-alanine ethyl ester
Find On: PubMed — Wikipedia — Google
CAS Number: 5446-46-8
| 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) | 1.70 | 5.49 | -7.28 | 1 | 4 | 0 | 55 | 221.256 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5254548 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR3-1-E | C-C Chemokine Receptor Type 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9000 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR3_HUMAN | P51677 | C-C Chemokine Receptor Type 3, Human | 9000 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
