Reaction Details  Report a problem with these data
Cell Reactant:
hRXRα-LBD⋅Targretin
Syringe Reactant:
BDBM217359
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
2017-03-17
ΔG°:
-8.64±0.02 (kcal/mole)
pH:
8.0000±0.0000
Temperature:
298.1500±0.0000 (K)
ΔH° :
-9.47±0.02 (kJ/mole)
ΔS° :
0±0 (kJ/mole-K)
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 Chem 289:814-26 (2014) [PubMed]  Article
Cell React
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:
Retinoic acid receptor RXR-alpha [223-462]
Synonyms:
RXRA_HUMAN | Retinoid X receptor alpha ligand-binding domain | NR2B1 | RXRA | Nuclear receptor subfamily 2 group B member 1
Type:
Protein
Mol. Mass.:
26819.71
Organism:
Human
Description:
Human RXR ligand binding domain (Thr223-Thr462)
Residue:
240
Sequence:
TSSANEDMPVERILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQMT
  
Component 2
Name:
BDBM50032675
Synonyms:
4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid | CHEMBL1023 | p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid | BEXAROTENE
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Name:
BDBM217359
Synonyms:
KHKILHRLLQDSS | GRIP-1
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
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:
Search PDB for entries with ligand similarity: