Reaction Details  Report a problem with these data
Cell Reactant:
BDBM17980
Syringe Reactant:
Renin
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
09/19/07
ΔG°:
-36.6586±n/a (kJ/mole)
pH:
7±n/a
Temperature:
301.15±n/a (K)
ΔHobs :
-28.424±n/a (kJ/mole)
Corrected for ΔHioniz:
no
ΔS° :
0.0273±n/a (kJ/mole-K)
Citation
 Sarver, RW; Peevers, J; Cody, WL; Ciske, FL; Dyer, J; Emerson, SD; Hagadorn, JC; Holsworth, DD; Jalaie, M; Kaufman, M; Mastronardi, M; McConnell, P; Powell, NA; Quin, J; Van Huis, CA; Zhang, E; Mochalkin, I Binding thermodynamics of substituted diaminopyrimidine renin inhibitors. Anal Biochem 360:30-40 (2007) [PubMed]  Article
Cell React
Name:
BDBM17980
Synonyms:
1,4-benzoxazin-3-one, 17 | 6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one | diaminopyrimidine renin inhibitor compound, 8
Type:
Small organic molecule
Emp. Form.:
C24H25F2N5O3
Mol. Mass.:
469.4838
SMILES:
CCc1nc(N)nc(N)c1-c1ccc2OC(C(=O)N(CCCOC)c2c1)c1cc(F)cc(F)c1
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Source:
Recombinant human renin expressed in CHO cells.
Purity:
Purified crystalizable protein.
Prep. Method:
Mature renin was eluted and loaded onto Blue Sepharose 6 Fast Flow. The unbound fraction containing renin was buffer exchanged and loaded onto POROS S/20. Renin was eluted and dialyzed. Purified renin was concentrated to 12 mg/mL and stored at -70C.
Name:
Renin
Synonyms:
Angiotensinogenase | REN | RENI_HUMAN
Type:
Enzyme
Mol. Mass.:
45058.99
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR