| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2006 | 27 | Yes |
Popular Name: 5',5',8',8'-TETRAMETHYL-5',6',7',8'-TETRAHYDRO-2,2'-BINAPHTHALENE-6-CARBOXYLICACID 5',5',8',8'-TETRAMETHYL-5',6',7'…
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CAS Number: 927-56-0
| 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) | 7.43 | 3.07 | -52.12 | 0 | 2 | -1 | 40 | 357.473 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA-1-E | Retinoic Acid Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 580 | 0.32 | Binding ≤ 10μM |
| RARB-1-E | Retinoic Acid Receptor Beta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 52 | 0.38 | Binding ≤ 10μM |
| RARG-1-E | Retinoic Acid Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 68 | 0.37 | Binding ≤ 10μM |
| Z102258-1-O | Trachea (cluster #1 Of 1), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z80135-1-O | F9 (cluster #1 Of 1), Other | Other | 15 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 580 | 0.32 | Binding ≤ 1μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 13 | 0.41 | Binding ≤ 1μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 40 | 0.38 | Binding ≤ 1μM |
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 580 | 0.32 | Binding ≤ 10μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 13 | 0.41 | Binding ≤ 10μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 40 | 0.38 | Binding ≤ 10μM |
| Z80135 | Z80135 | F9 | 1 | 0.47 | Functional ≤ 10μM |
| Z102258 | Z102258 | Trachea | 0.1 | 0.52 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
No pre-computed analogs available. Try a structural similarity search.