Reaction Details Report a problem with these data
Target
Squalene--hopene cyclase
Ligand
BDBM50143431
Substrate
n/a
Meas. Tech.
ChEBML_201951
IC50
67000±n/a nM
Citation
 Cravotto, G; Balliano, G; Robaldo, B; Oliaro-Bosso, S; Chimichi, S; Boccalini, M Farnesyloxycoumarins, a new class of squalene-hopene cyclase inhibitors. Bioorg Med Chem Lett 14:1931-4 (2004) [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:
BDBM50143431
Synonyms:
7-[(2E,6E)-9-(3,3-Dimethyl-oxiranyl)-3,7-dimethyl-nona-2,6-dienyloxy]-6-hydroxy-chromen-2-one | CHEMBL174435
Type:
Small organic molecule
Emp. Form.:
C24H30O5
Mol. Mass.:
398.492
SMILES:
C\C(CC\C=C(/C)CCC1OC1(C)C)=C/COc1cc2oc(=O)ccc2cc1O
Structure:
Search PDB for entries with ligand similarity: