6W50
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE
Summary for 6W50
Entry DOI | 10.2210/pdb6w50/pdb |
Descriptor | Coagulation factor XI, methyl ((10R,14S)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate, SULFATE ION, ... (5 entities in total) |
Functional Keywords | hydrolase, serine protease, blood coagulation factor, protein inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 29132.32 |
Authors | Sheriff, S. (deposition date: 2020-03-12, release date: 2020-06-10, Last modification date: 2023-10-18) |
Primary citation | Yang, W.,Wang, Y.,Lai, A.,Clark, C.G.,Corte, J.R.,Fang, T.,Gilligan, P.J.,Jeon, Y.,Pabbisetty, K.B.,Rampulla, R.A.,Mathur, A.,Kaspady, M.,Neithnadka, P.R.,Arumugam, A.,Raju, S.,Rossi, K.A.,Myers Jr., J.E.,Sheriff, S.,Lou, Z.,Zheng, J.J.,Chacko, S.A.,Bozarth, J.M.,Wu, Y.,Crain, E.J.,Wong, P.C.,Seiffert, D.A.,Luettgen, J.M.,Lam, P.Y.S.,Wexler, R.R.,Ewing, W.R. Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species. J.Med.Chem., 63:7226-7242, 2020 Cited by PubMed: 32456431DOI: 10.1021/acs.jmedchem.0c00464 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.95 Å) |
Structure validation
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