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Target
Squalene--hopene cyclase
Ligand
BDBM50128071
Substrate
n/a
Meas. Tech.
ChEMBL_201950 (CHEMBL809137)
IC50
2800±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:
BDBM50128071
Synonyms:
(4-(4-(4,5-dihydrooxazol-2-yl)benzylidene)piperidin-1-yl)(4-chlorophenyl)methanone | (4-Chloro-phenyl)-{4-[4-(4,5-dihydro-oxazol-2-yl)-benzylidene]-piperidin-1-yl}-methanone | (4-chlorophenyl)(4-(4-(4,5-dihydrooxazol-2-yl)benzylidene)piperidin-1-yl)methanone | CHEMBL417571
Type:
Small organic molecule
Emp. Form.:
C22H21ClN2O2
Mol. Mass.:
380.867
SMILES:
Clc1ccc(cc1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]\c1ccc(cc1)-[#6]-1=[#7]-[#6]-[#6]-[#8]-1 |t:25|
Structure:
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