| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 27 | Yes |
Popular Name: 1-[(3,4-dichlorophenyl)methyl]-4-phenyl-indole-2-carboxylic 1-[(3,4-dichlorophenyl)methyl]-4…
None
| 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) | 6.67 | 14.1 | -46.47 | 0 | 3 | -1 | 45 | 395.265 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999007351A2 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR2-1-E | C-C Chemokine Receptor Type 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 640 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCR2_HUMAN | P41597 | C-C Chemokine Receptor Type 2, Human | 640 | 0.32 | Binding ≤ 1μM |
| CCR2_HUMAN | P41597 | C-C Chemokine Receptor Type 2, Human | 640 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Beta defensins | |
| Chemokine receptors bind chemokines | |
| G alpha (i) signalling events |
