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Target
Squalene--hopene cyclase
Ligand
BDBM50143430
Substrate
n/a
Meas. Tech.
ChEBML_201951
IC50
65000±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:
BDBM50143430
Synonyms:
7-((2E,6E)-10,11-Dihydroxy-3,7,11-trimethyl-dodeca-2,6-dienyloxy)-chromen-2-one | CHEMBL178219
Type:
Small organic molecule
Emp. Form.:
C24H32O5
Mol. Mass.:
400.5079
SMILES:
C\C(CC\C=C(/C)CCC(O)C(C)(C)O)=C/COc1ccc2ccc(=O)oc2c1
Structure:
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