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Target
Sonic hedgehog protein
Ligand
BDBM50323698
Substrate
n/a
Meas. Tech.
ChEMBL_648529 (CHEMBL1220906)
Kd
9000±n/a nM
Citation
 Stanton, BZ; Peng, LF; Maloof, N; Nakai, K; Wang, X; Duffner, JL; Taveras, KM; Hyman, JM; Lee, SW; Koehler, AN; Chen, JK; Fox, JL; Mandinova, A; Schreiber, SL A small molecule that binds Hedgehog and blocks its signaling in human cells. Nat Chem Biol 5:154-6 (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:
BDBM50323698
Synonyms:
2-((3S,6S,12S,E)-12-amino-3-methyl-5,13-dioxo-1-oxo-4-azacyclotridec-8-en-6-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide | CHEMBL1213326
Type:
Small organic molecule
Emp. Form.:
C23H33N3O5
Mol. Mass.:
431.5252
SMILES:
C[C@H]1COC(=O)[C@@H](N)CC\C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 |r,t:10|
Structure:
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