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Target
Sonic hedgehog protein
Ligand
BDBM50232973
Substrate
n/a
Meas. Tech.
ChEMBL_853478 (CHEMBL2155375)
IC50
600±n/a nM
Citation
 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL Macrocyclic Hedgehog Pathway Inhibitors: Optimization of Cellular Activity and Mode of Action Studies. ACS Med Chem Lett 3:808-813 (2012) [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:
BDBM50232973
Synonyms:
CHEMBL254129 | CYCLOPAMINE
Type:
Small organic molecule
Emp. Form.:
C27H41NO2
Mol. Mass.:
411.6199
SMILES:
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |r,c:32,t:18|
Structure:
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