7MBO

FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one

Summary for 7MBO

• Entry DOI: 10.2210/pdb7mbo/pdb
• Descriptor: Coagulation factor XIa light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, Milvexian, ... (4 entities in total)
• Functional Keywords: hydrolase, serine protease, coagulation factor, syntethic inhibitor, blood, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 27704.15

Authors

Sheriff, S. (deposition date: 2021-04-01, release date: 2021-09-15, Last modification date: 2023-10-18)

• Primary citation: Dilger, A.K.,Pabbisetty, K.B.,Corte, J.R.,De Lucca, I.,Fang, T.,Yang, W.,Pinto, D.J.P.,Wang, Y.,Zhu, Y.,Mathur, A.,Li, J.,Hou, X.,Smith, D.,Sun, D.,Zhang, H.,Krishnananthan, S.,Wu, D.R.,Myers Jr., J.E.,Sheriff, S.,Rossi, K.A.,Chacko, S.,Zheng, J.J.,Galella, M.A.,Ziemba, T.,Dierks, E.A.,Bozarth, J.M.,Wu, Y.,Crain, E.,Wong, P.C.,Luettgen, J.M.,Wexler, R.R.,Ewing, W.R.; Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.; J.Med.Chem., 65:1770-1785, 2022; PubMed: 34494428; DOI: 10.1021/acs.jmedchem.1c00613

Experimental method

X-RAY DIFFRACTION (0.924 Å)