In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 36 | Yes |
Popular Name: N-[(2S)-2-anilinoindan-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide N-[(2S)-2-anilinoindan-5-yl]-3-m…
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) | 8.15 | 15.38 | -10.6 | 2 | 3 | 0 | 41 | 486.537 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SMO-1-E | Smoothened Homolog (cluster #1 Of 1), Eukaryotic | Eukaryotes | 130 | 0.27 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SMO_HUMAN | Q99835 | Smoothened Homolog, Human | 130 | 0.27 | Binding ≤ 1μM |
SMO_MOUSE | P56726 | Smoothened Homolog, Mouse | 82 | 0.28 | Binding ≤ 1μM |
SMO_HUMAN | Q99835 | Smoothened Homolog, Human | 130 | 0.27 | Binding ≤ 10μM |
SMO_MOUSE | P56726 | Smoothened Homolog, Mouse | 82 | 0.28 | Binding ≤ 10μM |
Description | Species |
---|---|
Class B/2 (Secretin family receptors) |