6HTY

PXR in complex with P2X4 inhibitor compound 25

Summary for 6HTY

Entry DOI	10.2210/pdb6hty/pdb
Descriptor	Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1, GLYCEROL, DIMETHYL SULFOXIDE, ... (5 entities in total)
Functional Keywords	pxr, src-1, cyp3a4 induction, transcription
Biological source	Homo sapiens (Human) More
Total number of polymer chains	2
Total formula weight	79281.73
Authors	Hillig, R.C.,Puetter, V.,Werner, S.,Mesch, S.,Laux-Biehlmann, A.,Braeuer, N.,Dahloef, H.,Klint, J.,ter Laak, A.,Pook, E.,Neagoe, I.,Nubbemeyer, R.,Schulz, S. (deposition date: 2018-10-05, release date: 2019-12-04, Last modification date: 2024-01-24)
Primary citation	Werner, S.,Mesch, S.,Hillig, R.C.,Ter Laak, A.,Klint, J.,Neagoe, I.,Laux-Biehlmann, A.,Dahllof, H.,Brauer, N.,Puetter, V.,Nubbemeyer, R.,Schulz, S.,Bairlein, M.,Zollner, T.M.,Steinmeyer, A. Discovery and Characterization of the Potent and Selective P2X4 InhibitorN-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile. J.Med.Chem., 62:11194-11217, 2019 Cited by PubMed: 31746599 DOI: 10.1021/acs.jmedchem.9b01304 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.22 Å)

Structure validation