3HC6

FXR with SRC1 and GSK088

Summary for 3HC6

• Entry DOI: 10.2210/pdb3hc6/pdb
• Related: 3DCT 3DCU 3HC5
• Descriptor: Bile acid receptor, Nuclear receptor coactivator 1, 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid, ... (5 entities in total)
• Functional Keywords: fxr, nuclear receptor, gw4064, alpha-helical sandwich, activator, alternative splicing, dna-binding, metal-binding, nucleus, receptor, repressor, transcription, transcription regulation, zinc, zinc-finger
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus . Isoform 1: Nucleus . Isoform 2: Nucleus . Isoform 3: Nucleus . Isoform 4: Nucleus : Q96RI1; Nucleus : Q15788
• Total number of polymer chains: 2
• Total formula weight: 30381.46

Authors

Williams, S.P.,Madauss, K.P. (deposition date: 2009-05-05, release date: 2009-07-21, Last modification date: 2023-09-06)

Primary citation

Akwabi-Ameyaw, A.,Bass, J.Y.,Caldwell, R.D.,Caravella, J.A.,Chen, L.,Creech, K.L.,Deaton, D.N.,Madauss, K.P.,Marr, H.B.,McFadyen, R.B.,Miller, A.B.,Navas, F.,Parks, D.J.,Spearing, P.K.,Todd, D.,Williams, S.P.,Bruce Wisely, G.
FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19:4733-4739, 2009

PubMed Abstract: Two series of conformationally constrained analogs of the FXR agonist GW 4064 1 were prepared. Replacement of the metabolically labile stilbene with either benzothiophene or naphthalene rings led to the identification of potent full agonists 2a and 2g.

PubMed: 19586769
DOI: 10.1016/j.bmcl.2009.06.062

Experimental method

X-RAY DIFFRACTION (3.2 Å)