2Y7Z

Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs

Summary for 2Y7Z

Related1WU1 2J34 2BQ7 2Y5G 2W3K 2VWO 1XKA 1NFW 2GD4 2Y5F 2VVV 2XBX 1MSX 1LPG 2VVU 1P0S 2G00 1MQ6 1XKB 1IQE 1G2M 2VH0 1NFY 2UWL 2BOK 1LPZ 1HCG 2W3I 2JKH 1Z6E 2UWP 2XC4 2Y81 1G2L 1NFU 2XC0 1FAX 2BQ6 1IQF 2Y7X 1NL8 1IQG 1IQH 1LQD 2UWO 1C5M 1IOE 1F0S 1F0R 2XBY 2XC5 2BMG 1MQ5 1IQN 2XBV 2BQW 1IQM 1EZQ 2VWL 2VH6 1FJS 1LPK 2J4I 2Y5H 1NFX 2VWN 1IQJ 2J94 2J95 2CJI 2BOH 2J38 2VVC 2W26 1IQI 2VWM 2Y82 1KYE 2Y80 1IQK 2WYJ 1V3X 2FZZ 2J2U 2XBW 1IQL 1KSN 2WYG
DescriptorACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ... (6 entities in total)
Functional Keywordsblood clotting, hydrolase, serine protease, blood coagulation
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains2
Total molecular weight44309.78
Authors
Primary citation
Young, R.J.,Adams, C.,Blows, M.,Brown, D.,Burns-Kurtis, C.L.,Chan, C.,Chaudry, L.,Convery, M.A.,Davies, D.E.,Exall, A.M.,Foster, G.,Harling, J.D.,Hortense, E.,Irvine, S.,Irving, W.R.,Jackson, S.,Kleanthous, S.,Pateman, A.J.,Patikis, A.N.,Roethka, T.J.,Senger, S.,Stelman, G.J.,Toomey, J.R.,West, R.I.,Whittaker, C.,Zhou, P.,Watson, N.S.
Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21:1582-, 2011
PubMed: 21349710 (PDB entries with the same primary citation)
DOI: 10.1016/J.BMCL.2011.01.131
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.84 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers2 0.7%0 5.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report