The NRLiSt BDB is constituted of 27 NRs, divided into 54 datasets comprising:

1. 339 structures: 266 agonist-bound, 17 antagonist-bound and 56 others-bound;
2. 9908 ligands: 7857 agonists and 2051 antagonists.

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Number of ligands per NR

Size: Small Normal

Ligands: Total Agonists Antagonists

• AR
  28
• CAR
  50
• ER_alpha
  50
• ER_beta
  50
• ERR_alpha
  50
• ERR_alpha
  50
• FXR_alpha
  50
• GR
  50
• LXR_alpha
  50
• LXR_beta
  50
• MR
  50
• PPAR_alpha
  50
• PPAR_beta
  50
• PPAR_gamma
  50
• PR
  50
• PXR
  50
• RAR_alpha
  50
• RAR_beta
  50
• RAR_gamma
  50
• ROR_alpha
  50
• ROR_gamma
  50
• RXR_alpha
  50
• RXR_beta
  50
• RXR_gamma
  50
• SF‑1
  50
• TR_alpha
  50
• TR_beta
  50
• VDR
  50
• • 200
  • 400
  • 600
  • 800
  • 1000
  • 1200
  • 1400
  • 1600
  • 1800
  • 2000

Number of structures per NR

Size: Small Normal

Structures: Total Agonist-bound Antagonist-bound Inverse agonist-bound Modulator-bound Partial agonist-bound

• AR
  28
• CAR
  50
• ER_alpha
  50
• ER_beta
  50
• ERR_alpha
  50
• FXR_alpha
  50
• GR
  50
• LXR_alpha
  50
• LXR_beta
  50
• MR
  50
• PPAR_alpha
  50
• PPAR_beta
  50
• PPAR_gamma
  50
• PR
  50
• PXR
  50
• RAR_alpha
  50
• RAR_beta
  50
• RAR_gamma
  50
• ROR_alpha
  50
• ROR_gamma
  50
• RXR_alpha
  50
• RXR_beta
  50
• RXR_gamma
  50
• SF‑1
  50
• TR_alpha
  50
• TR_beta
  50
• VDR
  50
• • 10
  • 20
  • 30
  • 40
  • 50
  • 60
  • 70
  • 80
  • 90
  • 100

Dendogram representing NRs sequence similarity

Multiple alignment of NRs sequences computed with ClustalX.

The NRLiSt BDB provides for each NRs, a dataset "agonist" and "antagonist". Based on the DUD and DUD_E models, each dataset is formed by 3 elements:

1. All ligands found to be agonists or antagonists in the scientific litterature;
2. The corresponding decoys (with a mean rate of 1/51);
3. All the tridimensionnal holo human structures of the NR.