Target
Squalene--hopene cyclase
Ligand
BDBM50128072
Substrate
n/a
Meas. Tech.
ChEMBL_201950 (CHEMBL809137)
IC50
59±n/a nM
Citation
 Lenhart, AReinert, DJAebi, JDDehmlow, HMorand, OHSchulz, 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:
BDBM50128072
Synonyms:
(4-{2-[(Allyl-cyclopropyl-amino)-methyl]-cyclopropylmethoxy}-phenyl)-(4-bromo-phenyl)-methanone | CHEMBL293005 | N-allyl-N-(((1S,2S)-2-((4-(4-bromobenzoyl)phenoxy)methyl)cyclopropyl)methyl)cyclopropanaminium | {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE
Type:
Small organic molecule
Emp. Form.:
C24H26BrNO2
Mol. Mass.:
440.373
SMILES:
Brc1ccc(cc1)C(=O)c1ccc(OC[C@H]2C[C@@H]2CN(CC=C)C2CC2)cc1
Structure:
Search PDB for entries with ligand similarity: