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Target
Sonic hedgehog protein
Ligand
BDBM50311520
Substrate
n/a
Meas. Tech.
ChEMBL_617885 (CHEMBL1101550)
Kd
>50000±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:
SHH | SHH_HUMAN
Type:
PROTEIN
Mol. Mass.:
49616.20
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1363190
Residue:
462
Sequence:
MLLLARCLLLVLVSSLLVCSGLACGPGRGFGKRRHPKKLTPLAYKQFIPNVAEKTLGASGRYEGKISRNSERFKELTPNYNPDIIFKDEENTGADRLMTQRCKDKLNALAISVMNQWPGVKLRVTEGWDEDGHHSEESLHYEGRAVDITTSDRDRSKYGMLARLAVEAGFDWVYYESKAHIHCSVKAENSVAAKSGGCFPGSATVHLEQGGTKLVKDLSPGDRVLAADDQGRLLYSDFLTFLDRDDGAKKVFYVIETREPRERLLLTAAHLLFVAPHNDSATGEPEASSGSGPPSGGALGPRALFASRVRPGQRVYVVAERDGDRRLLPAAVHSVTLSEEAAGAYAPLTAQGTILINRVLASCYAVIEEHSWAHRAFAPFRLAHALLAALAPARTDRGGDSGGGDRGGGGGRVALTAPGAADAPGAGATAGIHWYSQLLYQIGTWLLDSEALHPLGMAVKSS
  
Inhibitor
Name:
BDBM50311520
Synonyms:
CHEMBL1087530 | N-(4-chlorobenzyl)-2-((2R,6R,E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C25H27ClN2O4
Mol. Mass.:
454.946
SMILES:
Clc1ccc(CNC(=O)C[C@H]2C\C=C\CCC(=O)O[C@@H](CNC2=O)c2ccccc2)cc1 |r,t:12|
Structure:
Search PDB for entries with ligand similarity: