Title Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring Journal, issue, pages BIOORG. MED. CHEM. LETT. , Vol. 16, Page 2500-2504, Year 2006Publish date Jan 20, 2006 (structure data deposition date) AuthorsHolsworth, D.D. / Cai, C. / Cheng, X.M. / Cody, W.L. / Downing, D.M. / Erasga, N. / Lee, C. / Powell, N.A. / Ednunds, J.J. / Stier, M. ...Holsworth, D.D. / Cai, C. / Cheng, X.M. / Cody, W.L. / Downing, D.M. / Erasga, N. / Lee, C. / Powell, N.A. / Ednunds, J.J. / Stier, M. / Jalaie, M. / Zhang, E. / McConnell, P. / Ryan, M.J. / Bryant, J. / Li, T. / Kasani, A. / Hall, E. / Subedi, R. / Rahim, M. / Maiti, S. External links BIOORG. MED. CHEM. LETT. / PubMed:16480874Methods X-ray diffraction Resolution 1.9 - 2.9 Å Structure data PDB-2fs4 : Structure viewer Ketopiperazine-Based Renin Inhibitors: Optimization of the C ringMethod : X-RAY DIFFRACTION / Resolution : 2.2 Å
PDB-2g1n : Structure viewer Ketopiperazine-based renin inhibitors: Optimization of the "C" ringMethod : X-RAY DIFFRACTION / Resolution : 2.9 Å
PDB-2g1o : Structure viewer Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" RingMethod : X-RAY DIFFRACTION / Resolution : 2.7 Å
PDB-2g1r : Structure viewer Ketopiperazine-Based Renin Inhibitors: Optimization of the C RingMethod : X-RAY DIFFRACTION / Resolution : 2.42 Å
PDB-2g1s : Structure viewer Ketopiperazine-Based Renin Inhibitors: Optimization of the C RingMethod : X-RAY DIFFRACTION / Resolution : 2.5 Å
PDB-2g1y : Structure viewer Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" RingMethod : X-RAY DIFFRACTION / Resolution : 2.5 Å
PDB-2g20 : Structure viewer Ketopiperazine-Based Renin Inhibitors: Optimization of the C RingMethod : X-RAY DIFFRACTION / Resolution : 2.4 Å
PDB-2g21 : Structure viewer Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" RingMethod : X-RAY DIFFRACTION / Resolution : 2.2 Å
PDB-2g22 : Structure viewer Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" RingMethod : X-RAY DIFFRACTION / Resolution : 2.5 Å
PDB-2g24 : Structure viewer Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" RingMethod : X-RAY DIFFRACTION / Resolution : 1.9 Å
PDB-2g26 : Structure viewer Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" RingMethod : X-RAY DIFFRACTION / Resolution : 2.1 Å
PDB-2g27 : Structure viewer Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" RingMethod : X-RAY DIFFRACTION / Resolution : 2.9 Å
Chemicals ChemComp-PZ1 : Structure viewer (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE
ChemComp-NAG : Structure viewer 2-acetamido-2-deoxy-beta-D-glucopyranose
ChemComp-1IG : Structure viewer N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE
ChemComp-2IG : Structure viewer 6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE
ChemComp-3IG : Structure viewer N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE
ChemComp-4IG : Structure viewer (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE
ChemComp-5IG : Structure viewer 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE
ChemComp-L1A : Structure viewer N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE
ChemComp-L1B : Structure viewer 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM
ChemComp-6IG : Structure viewer 6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-N~4~-(2-PHENYLETHYL)PYRIMIDINE-2,4-DIAMINE
ChemComp-7IG : Structure viewer 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE
ChemComp-3LG : Structure viewer (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID
ChemComp-4LG : Structure viewer METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATE
Source homo sapiens (human) Keywords HYDROLASE / protein-ligand complexes