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NRLiSt BDB

Nuclear Receptors Ligands and Structures Benchmarking DataBase



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:

Ligands:
  • 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:

Structures:
  • 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.