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Target
Squalene--hopene cyclase
Ligand
BDBM50128046
Substrate
n/a
Meas. Tech.
ChEMBL_201950 (CHEMBL809137)
IC50
49±n/a nM
Citation
 Lenhart, A; Reinert, DJ; Aebi, JD; Dehmlow, H; Morand, OH; Schulz, GE Binding structures and potencies of oxidosqualene cyclase inhibitors with the homologous squalene-hopene cyclase. J Med Chem 46:2083-92 (2003) [PubMed]  Article 
Target
Name:
Squalene--hopene cyclase
Synonyms:
SQHC_ALIAD | Squalene--hopene cyclase | Squalene-hopene cyclase | shc
Type:
PROTEIN
Mol. Mass.:
71559.28
Organism:
Alicyclobacillus acidocaldarius
Description:
ChEMBL_201951
Residue:
631
Sequence:
MAEQLVEAPAYARTLDRAVEYLLSCQKDEGYWWGPLLSNVTMEAEYVLLCHILDRVDRDRMEKIRRYLLHEQREDGTWALYPGGPPDLDTTIEAYVALKYIGMSRDEEPMQKALRFIQSQGGIESSRVFTRMWLALVGEYPWEKVPMVPPEIMFLGKRMPLNIYEFGSWARATVVALSIVMSRQPVFPLPERARVPELYETDVPPRRRGAKGGGGWIFDALDRALHGYQKLSVHPFRRAAEIRALDWLLERQAGDGSWGGIQPPWFYALIALKILDMTQHPAFIKGWEGLELYGVELDYGGWMFQASISPVWDTGLAVLALRAAGLPADHDRLVKAGEWLLDRQITVPGDWAVKRPNLKPGGFAFQFDNVYYPDVDDTAVVVWALNTLRLPDERRRRDAMTKGFRWIVGMQSSNGGWGAYDVDNTSDLPNHIPFCDFGEVTDPPSEDVTAHVLECFGSFGYDDAWKVIRRAVEYLKREQKPDGSWFGRWGVNYLYGTGAVVSALKAVGIDTREPYIQKALDWVEQHQNPDGGWGEDCRSYEDPAYAGKGASTPSQTAWALMALIAGGRAESEAARRGVQYLVETQRPDGGWDEPYYTGTGFPGDFYLGYTMYRHVFPTLALGRYKQAIERR
  
Inhibitor
Name:
BDBM50128046
Synonyms:
(E)-N-allyl-4-(3-(4-bromophenyl)benzo[d]isoxazol-6-yloxy)-N-methylbut-2-en-1-aminium | Allyl-{4-[3-(4-bromo-phenyl)-benzo[d]isoxazol-6-yloxy]-but-2-enyl}-methyl-amine | CHEMBL65601 | N-allyl-4-(3-(4-bromophenyl)benzo[d]isoxazol-6-yloxy)-N-methylbut-2-en-1-aminium
Type:
Small organic molecule
Emp. Form.:
C21H21BrN2O2
Mol. Mass.:
413.308
SMILES:
CN(CC=C)C\C=C\COc1ccc2c(noc2c1)-c1ccc(Br)cc1
Structure:
Search PDB for entries with ligand similarity: