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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Cell Reactant: | hRXRα-LBD⋅Targretin | ||
| Syringe Reactant: | BDBM217359 | ||
| Meas. Tech.: | Enzyme Inhibition | ||
| Entry Date: | 03/17/17 | ||
| ΔG°: | -35.1±0.100 (kJ/mole) | ||
| pH: | 8±0 | ||
| Log10Kb: | 6.25± n/a | ||
| Temperature: | 293.15±0 (K) | ||
| ΔH° : | -30.1±0.100 (kJ/mole) | ||
| ΔHobs: | n/a | ||
| Ionic Strength: | n/a | ||
| n/a | |||
| Protons Released: | n/a | ||
| ΔCp : | n/a | ||
| Stoich. Param.: | n/a | ||
| ΔS° : | -0.0173±0.00100 (kJ/mole-K) | ||
| Comments: | n/a | ||
| Citation |  Boerma, LJ; Xia, G; Qui, C; Cox, BD; Chalmers, MJ; Smith, CD; Lobo-Ruppert, S; Griffin, PR; Muccio, DD; Renfrow, MB Defining the communication between agonist and coactivator binding in the retinoid X receptor a ligand binding domain. J Biol Chem289:814-26 (2014) [PubMed] Article | ||
| More Info.: | Get all data from this article , ITC RUN data | ||
| hRXRα-LBD⋅Targretin | |||
| Source: | n/a | ||
| Purity: | n/a | ||
| Prep. Method: | n/a | ||
| Name: | hRXRα-LBD⋅Targretin | ||
| Synonyms: | n/a | ||
| Type: | Protein | ||
| Mol. Mass.: | n/a | ||
| Description: | n/a | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Retinoid X receptor alpha ligand-binding domain (RXRα-LBD) | ||
| Synonyms: | NR2B1 | RXRA | RXRA_HUMAN | ||
| Type: | Protein | ||
| Mol. Mass.: | 26819.71 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Human RXRα ligand binding domain (Thr223-Thr462) | ||
| Residue: | 240 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name | BDBM50032675 | ||
| Synonyms: | 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid | BEXAROTENE | CHEMBL1023 | p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H28O2 | ||
| Mol. Mass. | 348.4779 | ||
| SMILES | Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C | ||
| Structure | 
| ||
| BDBM217359 | |||
| Source: | n/a | ||
| Purity: | n/a | ||
| Prep. Method: | n/a | ||
| Name | BDBM217359 | ||
| Synonyms: | GRIP-1 | KHKILHRLLQDSS | ||
| Type | Small organic molecule | ||
| Emp. Form. | C69H119N23O19 | ||
| Mol. Mass. | 1574.8259 | ||
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O |r| | ||
| Structure | 
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