Reaction Details | |||
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Cell Reactant: | hRXRα-LBD⋅9cRA | ||
Syringe Reactant: | BDBM217359 | ||
Meas. Tech.: | Enzyme Inhibition | ||
Entry Date: | 03/17/17 | ||
ΔG°: | -35.5±0.0800 (kJ/mole) | ||
pH: | 8±0 | ||
Log10Kb: | 6.33± n/a | ||
Temperature: | 293.15±0 (K) | ||
ΔH° : | -28.4±0.0800 (kJ/mole) | ||
ΔHobs: | n/a | ||
Ionic Strength: | n/a | ||
n/a | |||
Protons Released: | n/a | ||
ΔCp : | n/a | ||
Stoich. Param.: | n/a | ||
ΔS° : | -0.0244±0.000700 (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⋅9cRA | |||
Source: | n/a | ||
Purity: | n/a | ||
Prep. Method: | n/a | ||
Name: | hRXRα-LBD⋅9cRA | ||
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 | BDBM31892 | ||
Synonyms: | 9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin | alitretinoin | ||
Type | Small organic molecule | ||
Emp. Form. | C20H28O2 | ||
Mol. Mass. | 300.4351 | ||
SMILES | C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4| | ||
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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