タイトル Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. ジャーナル・号・ページ J. Med. Chem. , Vol. 66, Page 12203-12224, Year 2023掲載日 2022年11月14日 (構造データの登録日) 著者Roehrig, S. / Ackerstaff, J. / Jimenez Nunez, E. / Teller, H. / Ellerbrock, P. / Meier, K. / Heitmeier, S. / Tersteegen, A. / Stampfuss, J. / Lang, D. ...Roehrig, S. / Ackerstaff, J. / Jimenez Nunez, E. / Teller, H. / Ellerbrock, P. / Meier, K. / Heitmeier, S. / Tersteegen, A. / Stampfuss, J. / Lang, D. / Schlemmer, K.H. / Schaefer, M. / Gericke, K.M. / Kinzel, T. / Meibom, D. / Schmidt, M. / Gerdes, C. / Follmann, M. / Hillisch, A. リンク J. Med. Chem. / PubMed:37669040手法 X線回折 解像度 1.25 - 1.841 Å 構造データ PDB-8bo3 : 構造ビューア COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian 手法 : X-RAY DIFFRACTION / 解像度 : 1.841 Å
PDB-8bo4 : 構造ビューア COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1 手法 : X-RAY DIFFRACTION / 解像度 : 1.75 Å
PDB-8bo5 : 構造ビューア COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 3 手法 : X-RAY DIFFRACTION / 解像度 : 1.7 Å
PDB-8bo6 : 構造ビューア COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 2 手法 : X-RAY DIFFRACTION / 解像度 : 1.25 Å
PDB-8bo7 : 構造ビューア COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 34 手法 : X-RAY DIFFRACTION / 解像度 : 1.25 Å
化合物 ChemComp-QV3 : 構造ビューア 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide
ChemComp-QVI : 構造ビューア 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide
ChemComp-QVO : 構造ビューア 2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide
ChemComp-QW0 : 構造ビューア (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide
ChemComp-QW6 : 構造ビューア 4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid
由来 homo sapiens (ヒト) キーワード BLOOD CLOTTING / S1 PROTEASE / SERINE PROTEASE / STRUCTURE-BASED DRUG DESIGN / ACTIVE SITE DIRECTED INHIBITOR / HYDROLASE