2VVC

Aminopyrrolidine Factor Xa inhibitor

Summary for 2VVC

Related1WU1 2J34 2BQ7 2W3K 2VWO 1XKA 1NFW 2VVV 2GD4 1MSX 1LPG 2VVU 1P0S 2G00 1MQ6 1XKB 1IQE 1G2M 2VH0 1NFY 2UWL 2BOK 1LPZ 1HCG 2W3I 2JKH 1Z6E 2UWP 1G2L 1NFU 1FAX 2BQ6 1IQF 1NL8 1IQG 1IQH 1LQD 2UWO 1C5M 1IOE 1F0S 1F0R 2BMG 1MQ5 1IQN 2BQW 1IQM 1EZQ 2VWL 2VH6 1FJS 1LPK 2J4I 1NFX 2VWN 2J94 1IQJ 2J95 2CJI 2BOH 2J38 2W26 1IQI 2VWM 1KYE 1IQK 1V3X 2FZZ 2J2U 1IQL 1KSN
DescriptorACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide, ... (6 entities in total)
Functional Keywordshydrolase, zymogen, protease, glycoprotein, gamma-carboxyglutamic acid, blood clotting, coagulation factor, hydroxylation, serine protease, egf-like domain
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationSecreted P00742 P00742
Total number of polymer chains4
Total molecular weight67563.57
Authors
Groebke-Zbinden, K.,Banner, D.W.,Benz, J.M.,Blasco, F.,Decoret, G.,Himber, J.,Kuhn, B.,Panday, N.,Ricklin, F.,Risch, P.,Schlatter, D.,Stahl, M.,Unger, R.,Haap, W. (deposition date: 2008-06-05, release date: 2009-07-07, Last modification date: 2017-06-28)
Primary citation
Zbinden, K.G.,Anselm, L.,Banner, D.W.,Benz, J.M.,Blasco, F.,Decoret, G.,Himber, J.,Kuhn, B.,Panday, N.,Ricklin, F.,Risch, P.,Schlatter, D.,Stahl, M.,Thomi, S.,Unger, R.,Haap, W.
Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44:2787-, 2009
PubMed: 19200624 (PDB entries with the same primary citation)
DOI: 10.1016/J.EJMECH.2008.12.025
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.95 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.273110.5%4.2%2.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution