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Structure Search


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


 

Search Type:
Substructure
Similarity: (≥ 0.6)
Exact

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Molecular Weight Filter:
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Is every molecule a HET in PDB? noyes

ANDOR



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  [
 JAK1 (866-1154) [ 69 ] [ 3D ] Jak1 protein [ 69 ] [ 3D ]
 JAK1/JAK2/TYK2 [ 5 ] [ 3D ] JAK1/TYK2 [ 5 ] [ 3D ]
 JAK2 (831-1132) [ 69 ] [ 3D ] JAK2/JAK1 [ 69 ] [ 3D ]
 JAK2/TYK2 [ 6 ] [ 3D ] JAK3 [ 6 ] [ 3D ]
 JAK3/JAK1 [ 18 ] [ 3D ] Jnk1 & Jnk2 [ 18 ] [ 3D ]
 JNK1/JNK2 [ 6 ] [ 3D ] JNK2/JNK3 [ 6 ] [ 3D ]
 JNK3 [ 22 ] [ 3D ] Jumonji domain-containing protein 2A (JMJD2A) [ 22 ] [ 3D ]
 Jumonji domain-containing protein 2C (JMJD2C) [ 6 ] [ 3D ] Juvenile hormone epoxide hydrolase (JHEH) [ 6 ] [ 3D ]
 Juvenile hormone esterase (JHE) [ 2 ] [ 3D ]