6TFI

PXR IN COMPLEX WITH THROMBIN INHIBITOR COMPOUND 17

Summary for 6TFI

• Entry DOI: 10.2210/pdb6tfi/pdb
• Descriptor: Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1, GLYCEROL, (4S)-2-METHYL-2,4-PENTANEDIOL, ... (7 entities in total)
• Functional Keywords: pxr, src-1, cyp3a4 induction, pk optimization, transcription
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 79746.02

Authors

Hillig, R.C.,Puetter, V. (deposition date: 2019-11-14, release date: 2020-11-11, Last modification date: 2024-01-24)

• Primary citation: Hillisch, A.,Gericke, K.M.,Allerheiligen, S.,Roehrig, S.,Schaefer, M.,Tersteegen, A.,Schulz, S.,Lienau, P.,Gnoth, M.,Puetter, V.,Hillig, R.C.,Heitmeier, S.; Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.; J.Med.Chem., 63:12574-12594, 2020; PubMed: 33108181; DOI: 10.1021/acs.jmedchem.0c01035

Experimental method

X-RAY DIFFRACTION (1.85 Å)