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Structure Search


 Draw a structure or paste a SMILES string below, and/or upload a file


 

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Substructure
Similarity: (≥ 0.6)
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Is every molecule a HET in PDB? noyes

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Browse for and upload your compound file (only first 100 compounds are processed). Acceptable formats are detailed here. Examples include SDfiles and SMILES lists.

 Help      If no Targets are checked, all will be included in search

This search will returns compounds in the BindingDB that match the drawn compound. You can choose between "Exact" match of the entire molecule; exact "Substructure" match; or fingerprint-based similarity, with a selectable similarity percentage.

0-9    &  (  A  B  C  D  E  F  G  H  I  J  K  L  M  N  O  P  Q  R  S  T  U  V  W  X  Y  Z  [
 X-box-binding protein 1 [ 5 ] [ 3D ] X-linked inhibitor of apoptosis protein (XIAP) [ 5 ] [ 3D ]
 X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3) [ 133 ] [ 3D ] Xaa-Pro aminopeptidase 1 [ 133 ] [ 3D ]
 Xaa-Pro aminopeptidase 2 [ 13 ] [ 3D ] Xaa-Pro dipeptidase [ 13 ] [ 3D ]
 Xanthine dehydrogenase [ 759 ] [ 3D ] Xanthine dehydrogenase/oxidase [ 759 ] [ 3D ]
 Xanthine oxidase [ 313 ] [ 3D ] Xanthine phosphoribosyltransferase (XGPRT) [ 313 ] [ 3D ]
 XBP1 [ 942 ] [ 3D ] XIAP protein BIR2 [ 942 ] [ 3D ]
 XIAP protein BIR3 [ 268 ] [ 3D ] XIAP-BIR3 [ 268 ] [ 3D ]