4CRD

Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design

4CRD の概要

関連するPDBエントリー4CR5 4CR9 4CRA 4CRB 4CRC 4CRE 4CRF 4CRG
分子名称COAGULATION FACTOR XI, Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate, SULFATE ION, ... (4 entities in total)
機能のキーワードhydrolase
由来する生物種HOMO SAPIENS (HUMAN)
細胞内の位置Secreted P03951
ポリマー鎖数1
分子量合計27557.93
構造登録者
主引用文献
Fjellstrom, O.,Akkaya, S.,Beisel, H.,Eriksson, P.,Erixon, K.,Gustafsson, D.,Jurva, U.,Kang, D.,Karis, D.,Knecht, W.,Nerme, V.,Nilsson, I.,Olsson, T.,Redzic, A.,Roth, R.,Sandmark, J.,Tigerstrom, A.,Oster, L.
Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10:13705-, 2015
PubMed: 25629509 (主引用文献が同じPDBエントリー)
DOI: 10.1371/JOURNAL.PONE.0113705
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (2.1 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.224203.0%0.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
検証レポート(詳細版)をダウンロード