In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 1st, 2009 | 33 | Yes |
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) | 5.98 | 6.41 | -12.93 | 3 | 5 | 0 | 79 | 458.639 | 12 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ANDR-1-E | Androgen Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 13 | 0.33 | Binding ≤ 10μM |
VDR-2-E | Vitamin D Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10 | 0.34 | Binding ≤ 10μM |
ANDR-1-E | Androgen Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 19 | 0.33 | Functional ≤ 10μM |
Z80992-1-O | HSC-3 (Oral Squamous Cell Carcinoma) (cluster #1 Of 1), Other | Other | 19 | 0.33 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ANDR_MOUSE | P19091 | Androgen Receptor, Mouse | 13 | 0.33 | Binding ≤ 1μM |
VDR_HUMAN | P11473 | Vitamin D Receptor, Human | 1.66 | 0.37 | Binding ≤ 1μM |
ANDR_MOUSE | P19091 | Androgen Receptor, Mouse | 13 | 0.33 | Binding ≤ 10μM |
ANDR_HUMAN | P10275 | Androgen Receptor, Human | 1100 | 0.25 | Binding ≤ 10μM |
VDR_HUMAN | P11473 | Vitamin D Receptor, Human | 1.66 | 0.37 | Binding ≤ 10μM |
ANDR_MOUSE | P19091 | Androgen Receptor, Mouse | 19 | 0.33 | Functional ≤ 10μM |
Z80992 | Z80992 | HSC-3 (Oral Squamous Cell Carcinoma) | 19 | 0.33 | Functional ≤ 10μM |
Description | Species |
---|---|
Nuclear Receptor transcription pathway |