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Target
Squalene--hopene cyclase
Ligand
BDBM50128065
Substrate
n/a
Meas. Tech.
ChEMBL_201950 (CHEMBL809137)
IC50
60±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:
BDBM50128065
Synonyms:
CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-bromobenzoyl)-3-fluorophenoxy)-N-methylhexan-1-aminium | [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | {4-[6-(Allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl}-(4-bromo-phenyl)-methanone
Type:
Small organic molecule
Emp. Form.:
C23H27BrFNO2
Mol. Mass.:
448.368
SMILES:
CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C
Structure:
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