# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T16:23:01+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of medicinal chemistry') AND volume = 51 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1504341","19.155","0.007","5.871","0.002","19.432","0.006","90","","96.031","0.006","90","","2173.2","1.3","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H34 N2 O3 -","- C21 H34 N2 O3 -","- C84 H136 N8 O12 -","4","1","","Gomtsyan, Arthur; Bayburt, Erol K.; Schmidt, Robert G.; Surowy, Carol S.; Honore, Prisca; Marsh, Kennan C.; Hannick, Steven M.; McDonald, Heath A.; Wetter, Jill M.; Sullivan, James P.; Jarvis, Michael F.; Faltynek, Connie R.; Lee, Chih-Hung","Identification of (R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (ABT-102) as a potent TRPV1 antagonist for pain management.","Journal of medicinal chemistry","2008","51","3","392","395","10.1021/jm701007g","","","0.71073","MoKα","","0.1362","0.0775","","","0.1789","0.2617","","","","","","0.895","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504342","5.3438","0.0003","10.7546","0.0006","32.137","0.003","90","","90","","90","","1846.9","0.2","200","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Cl N2 O5 -","- C20 H15 Cl N2 O5 -","- C80 H60 Cl4 N8 O20 -","4","1","","Crosignani, Stefano; Page, Patrick; Missotten, Marc; Colovray, Véronique; Cleva, Christophe; Arrighi, Jean-François; Atherall, John; Macritchie, Jackie; Martin, Thierry; Humbert, Yves; Gaudet, Marilène; Pupowicz, Doris; Maio, Maurizio; Pittet, Pierre-André; Golzio, Lucia; Giachetti, Claudio; Rocha, Cynthia; Bernardinelli, Gérald; Filinchuk, Yaroslav; Scheer, Alexander; Schwarz, Matthias K.; Chollet, André","Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases.","Journal of medicinal chemistry","2008","51","7","2227","2243","10.1021/jm701383e","","","0.71073","MoKα","","","0.057","","","","0.056","","","","","","1.88","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504343","5.32926","0.00007","10.77905","0.00018","31.3253","0.0005","90","","90","","90","","1799.46","0.05","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Cl F N2 O5 -","- C20 H14 Cl F N2 O5 -","- C80 H56 Cl4 F4 N8 O20 -","4","1","","Crosignani, Stefano; Page, Patrick; Missotten, Marc; Colovray, Véronique; Cleva, Christophe; Arrighi, Jean-François; Atherall, John; Macritchie, Jackie; Martin, Thierry; Humbert, Yves; Gaudet, Marilène; Pupowicz, Doris; Maio, Maurizio; Pittet, Pierre-André; Golzio, Lucia; Giachetti, Claudio; Rocha, Cynthia; Bernardinelli, Gérald; Filinchuk, Yaroslav; Scheer, Alexander; Schwarz, Matthias K.; Chollet, André","Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases.","Journal of medicinal chemistry","2008","51","7","2227","2243","10.1021/jm701383e","","","0.71","synchrotron","","0.0526","0.0374","","","0.0827","0.0883","","","","","","1.138","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504344","9.12","0.006","10.251","0.006","11.299","0.007","71.757","0.008","74.66","0.009","80.836","0.009","964.1","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Cl2 N3 O3 -","- C19 H19 Cl2 N3 O3 -","- C38 H38 Cl4 N6 O6 -","2","1","","Magedov, Igor V.; Manpadi, Madhuri; Ogasawara, Marcia A.; Dhawan, Adriana S.; Rogelj, Snezna; Van Slambrouck, Severine; Steelant, Wim F. A.; Evdokimov, Nikolai M.; Uglinskii, Pavel Y.; Elias, Eerik M.; Knee, Erica J.; Tongwa, Paul; Antipin, Mikhail Yu; Kornienko, Alexander","Structural simplification of bioactive natural products with multicomponent synthesis. 2. antiproliferative and antitubulin activities of pyrano[3,2-c]pyridones and pyrano[3,2-c]quinolones.","Journal of medicinal chemistry","2008","51","8","2561","2570","10.1021/jm701499n","","","0.71073","MoKα","","0.1419","0.0549","","","0.0932","0.1139","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504345","7.9246","0.0004","8.7859","0.0008","28.0323","0.0012","87.074","0.001","85.771","0.001","73.203","0.001","1862.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 O2 -","- C21 H23 N3 O2 -","- C84 H92 N12 O8 -","4","2","","Diaz, Philippe; Xu, Jijun; Astruc-Diaz, Fanny; Pan, Hao-Min; Brown, David L.; Naguib, Mohamed","Design and synthesis of a novel series of N-alkyl isatin acylhydrazone derivatives that act as selective cannabinoid receptor 2 agonists for the treatment of neuropathic pain.","Journal of medicinal chemistry","2008","51","16","4932","4947","10.1021/jm8002203","","","0.71073","MoKα","","0.0964","0.0504","","","0.1212","0.144","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504346","10.3558","0.0002","6.8232","0.0001","14.7816","0.0003","90","","94.469","0.001","90","","1041.29","0.03","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","WAY-214,050-A-1 [ I-13233-115-2 ]","1-[(1R)-1-(3-Chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexanol Dihydrochloride","","- C19 H31 Cl3 N2 O -","- C19 H31 Cl3 N2 O -","- C38 H62 Cl6 N4 O2 -","2","1","","Mahaney, Paige E.; Gavrin, Lori K.; Trybulski, Eugene J.; Stack, Gary P.; Vu, T. An; Cohn, Stephen T.; Ye, Fei; Belardi, Justin K.; Santilli, Arthur A.; Sabatucci, Joseph P.; Leiter, Jennifer; Johnston, Grace H.; Bray, Jenifer A.; Burroughs, Kevin D.; Cosmi, Scott A.; Leventhal, Liza; Koury, Elizabeth J.; Zhang, Yingru; Mugford, Cheryl A.; Ho, Douglas M.; Rosenzweig-Lipson, Sharon J; Platt, Brian; Smith, Valerie A.; Deecher, Darlene C.","Structure-activity relationships of the cycloalkanol ethylamine scaffold: discovery of selective norepinephrine reuptake inhibitors.","Journal of medicinal chemistry","2008","51","13","4038","4049","10.1021/jm8002262","","","0.71073","MoKα","","0.0665","0.0484","","0.0906","0.0832","","","","1.079","1.099","1.099","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504347","6.6343","0.0013","20.033","0.004","15.188","0.003","90","","97.73","0.03","90","","2000.2","0.7","140","2","140","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C17 H28 Cl2 N3 O P Ru -","- C17 H28 Cl2 N3 O P Ru -","- C68 H112 Cl8 N12 O4 P4 Ru4 -","4","2","","Casini, Angela; Gabbiani, Chiara; Sorrentino, Francesca; Rigobello, Maria Pia; Bindoli, Alberto; Geldbach, Tilmann J.; Marrone, Alessandro; Re, Nazzareno; Hartinger, Christian G.; Dyson, Paul J.; Messori, Luigi","Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium(II)-arene compounds.","Journal of medicinal chemistry","2008","51","21","6773","6781","10.1021/jm8006678","","","0.71073","MoKα","","0.046","0.0354","","","0.061","0.0649","","","","","","1.091","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""