| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 29 | Yes |
Popular Name: 4-(benzylamino)-2-[2-(3,5-dichloro-4-hydroxy-phenyl)ethylamino]pyrimidine-5-carboxamide 4-(benzylamino)-2-[2-(3,5-dichlo…
| 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) | 3.59 | 6.77 | -12.75 | 5 | 7 | 0 | 113 | 432.311 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 7.53 | -45.14 | 4 | 7 | -1 | 116 | 431.303 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 7.13 | -45.17 | 6 | 7 | 1 | 114 | 433.319 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| STAT6-1-E | Signal Transducer And Activator Of Transcription 6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 61 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| STAT6_HUMAN | P42226 | Signal Transducer And Activator Of Transcription 6, Human | 61 | 0.35 | Binding ≤ 1μM |
| STAT6_HUMAN | P42226 | Signal Transducer And Activator Of Transcription 6, Human | 61 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Downstream signal transduction | |
| STAT6-mediated induction of chemokines |
