BindingDB logo
myBDB logout

Structure Search

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

 

Search Type:
Substructure
Similarity: (≥ 0.6)
Exact

Activity Filter:
<   Ki (nM)   <
<   IC50 (nM)   <
<   ΔG° (kcal/mol)   <

Molecular Weight Filter:
<   MW   <

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  [
 O-acetylserine sulfhydrylase [ 20 ] [ 3D ] O-acyltransferase [ 20 ] [ 3D ]
 O-GlcNAc Transferase (OGT) [ 27 ] [ 3D ] o-Succinylbenzoyl-CoA synthase (MenE) [ 27 ] [ 3D ]
 Octaprenyl diphosphate synthase (OPPS) [ 1 ] [ 3D ] Olfactory receptor 17 [ 1 ] [ 3D ]
 Olfactory receptor class A 1 (ORA1) [ 11 ] [ 3D ] Oligopeptide transporter small intestine isoform [ 11 ] [ 3D ]
 Oligopeptide transporter, kidney isoform [ 34 ] [ 3D ] Oligosaccharyl transferase (OT) [ 34 ] [ 3D ]
 Oligosaccharyl transferase 48 kDa subunit [ 13 ] [ 3D ] OPIATE Kappa 3 [ 13 ] [ 3D ]
 Opiate non-selective [ 13 ] [ 3D ] OPIATE Sigma [ 13 ] [ 3D ]
 Opioid growth factor receptor-like protein 1 [ 438 ] [ 3D ] Opioid receptor [ 438 ] [ 3D ]
 Opioid receptors; mu & delta [ 2053 ] [ 3D ] Opioid receptors; mu and delta [ 1 ] [ 3D ]
 Opioid receptors; mu/kappa/delta [ 58 ] [ 3D ] OPRD1 [ 58 ] [ 3D ]
 OPRK1 [ 12 ] [ 3D ] OPRM1 [ 12 ] [ 3D ]
 Orexin receptor 1 [ 3179 ] [ 3D ] Orexin receptor 2 [ 1 ] [ 3D ]
 Orexin receptor type 1 [ 2 ] [ 3D ] Orexin receptor type 1 (OX1) [ 2 ] [ 3D ]
 Orexin receptor type 2 [ 2 ] [ 3D ] Orexin receptor type 2 (OX2) [ 2 ] [ 3D ]
 Organic anion-transporting polypeptide 1D1 (Oatp1d1) [ 30 ] [ 3D ] Ornithine aminotransferase, mitochondrial [ 30 ] [ 3D ]
 Ornithine carbamoyltransferase [ 8 ] [ 3D ] Ornithine decarboxylase [ 8 ] [ 3D ]
 Orotate phosphoribosyltransferase (HsOPRT) [ 30 ] [ 3D ] Orotate phosphoribosyltransferase (PfOPRT) [ 30 ] [ 3D ]
 Orotidine Monophosphate Decarboxylase (ODCase) [ 19 ] [ 3D ] Orotidine phosphate decarboxylase [ 19 ] [ 3D ]
 OSBP-related protein 4 (ORP4L) [ 2 ] [ 3D ] OSBP-related protein 4 (ORP4S) [ 2 ] [ 3D ]
 ouabain [ 1 ] [ 3D ] Outer Membrane Phospholipase A [ 1 ] [ 3D ]
 Outer membrane protein MIP [ 13 ] [ 3D ] Ovarian cancer G-protein coupled receptor 1 [ 13 ] [ 3D ]
 Oxaloacetate decarboxylase (PA4872) [ 6 ] [ 3D ] Oxoeicosanoid receptor 1 [ 6 ] [ 3D ]
 OXTR [ 7 ] [ 3D ] Oxysterols receptor LXR-alpha [ 7 ] [ 3D ]
 Oxytocin receptor [ 1238 ] [ 3D ]