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Target
Sonic hedgehog protein
Ligand
BDBM50017346
Substrate
n/a
Meas. Tech.
ChEMBL_1363190 (CHEMBL3293905)
Kd
27000±n/a nM
Citation
 Roy, S; El Hadri, A; Richard, S; Denis, F; Holte, K; Duffner, J; Yu, F; Galcheva-Gargova, Z; Capila, I; Schultes, B; Petitou, M; Kaundinya, GV Synthesis and biological evaluation of a unique heparin mimetic hexasaccharide for structure-activity relationship studies. J Med Chem 57:4511-20 (2014) [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:
BDBM50017346
Synonyms:
CHEMBL3288258
Type:
Small organic molecule
Emp. Form.:
C47H66N3Na9O52S6
Mol. Mass.:
1904.314
SMILES:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@]1(O[C@@H]2O[C@@H](C([O-])=O)[C@@]([H])(O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]4O[C@@H](C([O-])=O)[C@@]([H])(O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]6O[C@H]([C@@H](O)[C@H](O)[C@H]6OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4OS([O-])(=O)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)[C@H](O)[C@@H](NC(C)=O)[C@@H](OCCCCC)O[C@@H]1COS([O-])(=O)=O |r|
Structure:
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