| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 26 | Yes |
4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamido)benzoic acid
4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid
| 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) | 5.37 | 11.22 | -54.56 | 1 | 4 | -1 | 69 | 350.438 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA-1-E | Retinoic Acid Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 41 | 0.40 | Binding ≤ 10μM |
| RARB-1-E | Retinoic Acid Receptor Beta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9 | 0.43 | Binding ≤ 10μM |
| RARG-1-E | Retinoic Acid Receptor Gamma (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3824 | 0.29 | Binding ≤ 10μM |
| RARA-1-E | Retinoic Acid Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.45 | Functional ≤ 10μM |
| RARB-1-E | Retinoic Acid Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.43 | Functional ≤ 10μM |
| RARG-1-E | Retinoic Acid Receptor Gamma (cluster #1 Of 1), Eukaryotic | Eukaryotes | 19 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 0.3 | 0.51 | Binding ≤ 1μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 8.6 | 0.43 | Binding ≤ 1μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 13 | 0.42 | Binding ≤ 1μM |
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 0.3 | 0.51 | Binding ≤ 10μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 1361 | 0.32 | Binding ≤ 10μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 13 | 0.42 | Binding ≤ 10μM |
| RARA_HUMAN | P10276 | Retinoic Acid Receptor Alpha, Human | 2 | 0.47 | Functional ≤ 10μM |
| RARB_HUMAN | P10826 | Retinoic Acid Receptor Beta, Human | 9 | 0.43 | Functional ≤ 10μM |
| RARG_HUMAN | P13631 | Retinoic Acid Receptor Gamma, Human | 19 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
