| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Squalene--hopene cyclase |
|---|
| Ligand | BDBM50128071 |
|---|
| Substrate/Competitor | 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 Chem46:2083-92 (2003) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Squalene--hopene cyclase |
|---|
| 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: | MAEQLVEAPAYARTLDRAVEYLLSCQKDEGYWWGPLLSNVTMEAEYVLLCHILDRVDRDR
MEKIRRYLLHEQREDGTWALYPGGPPDLDTTIEAYVALKYIGMSRDEEPMQKALRFIQSQ
GGIESSRVFTRMWLALVGEYPWEKVPMVPPEIMFLGKRMPLNIYEFGSWARATVVALSIV
MSRQPVFPLPERARVPELYETDVPPRRRGAKGGGGWIFDALDRALHGYQKLSVHPFRRAA
EIRALDWLLERQAGDGSWGGIQPPWFYALIALKILDMTQHPAFIKGWEGLELYGVELDYG
GWMFQASISPVWDTGLAVLALRAAGLPADHDRLVKAGEWLLDRQITVPGDWAVKRPNLKP
GGFAFQFDNVYYPDVDDTAVVVWALNTLRLPDERRRRDAMTKGFRWIVGMQSSNGGWGAY
DVDNTSDLPNHIPFCDFGEVTDPPSEDVTAHVLECFGSFGYDDAWKVIRRAVEYLKREQK
PDGSWFGRWGVNYLYGTGAVVSALKAVGIDTREPYIQKALDWVEQHQNPDGGWGEDCRSY
EDPAYAGKGASTPSQTAWALMALIAGGRAESEAARRGVQYLVETQRPDGGWDEPYYTGTG
FPGDFYLGYTMYRHVFPTLALGRYKQAIERR
|
|
|
|---|
| BDBM50128071 |
|---|
| n/a |
|---|
| 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 | 
|
|---|
Search and Browse
