Reaction Details Report a problem with these data
Target
Sonic hedgehog protein
Ligand
BDBM50311519
Substrate
n/a
Meas. Tech.
ChEMBL_617880 (CHEMBL1101545)
EC50
15000±n/a nM
Citation
 Peng, LF; Stanton, BZ; Maloof, N; Wang, X; Schreiber, SL Syntheses of aminoalcohol-derived macrocycles leading to a small-molecule binder to and inhibitor of Sonic Hedgehog. Bioorg Med Chem Lett 19:6319-25 (2009) [PubMed]  Article 
Target
Name:
Sonic hedgehog protein
Synonyms:
Hhg1 | SHH_MOUSE | Shh
Type:
Protein
Mol. Mass.:
47784.50
Organism:
Mus musculus (Mouse)
Description:
Q62226
Residue:
437
Sequence:
MLLLLARCFLVILASSLLVCPGLACGPGRGFGKRRHPKKLTPLAYKQFIPNVAEKTLGASGRYEGKITRNSERFKELTPNYNPDIIFKDEENTGADRLMTQRCKDKLNALAISVMNQWPGVKLRVTEGWDEDGHHSEESLHYEGRAVDITTSDRDRSKYGMLARLAVEAGFDWVYYESKAHIHCSVKAENSVAAKSGGCFPGSATVHLEQGGTKLVKDLRPGDRVLAADDQGRLLYSDFLTFLDRDEGAKKVFYVIETLEPRERLLLTAAHLLFVAPHNDSGPTPGPSALFASRVRPGQRVYVVAERGGDRRLLPAAVHSVTLREEEAGAYAPLTAHGTILINRVLASCYAVIEEHSWAHRAFAPFRLAHALLAALAPARTDGGGGGSIPAAQSATEARGAEPTAGIHWYSQLLYHIGTWLLDSETMHPLGMAVKSS
  
Inhibitor
Name:
BDBM50311519
Synonyms:
CHEMBL1088172 | N-(4-chlorobenzyl)-2-((2R,6S,E)-5,13-dioxo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C26H29ClN2O4
Mol. Mass.:
468.972
SMILES:
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCCC(=O)O[C@@H](CNC2=O)c2ccccc2)cc1 |r,t:12|
Structure:
Search PDB for entries with ligand similarity: