Reaction Details Report a problem with these data
Target
Lanosterol synthase
Ligand
BDBM50062845
Substrate
n/a
Meas. Tech.
ChEMBL_148899 (CHEMBL754982)
IC50
100000±n/a nM
Citation
 Ceruti, M; Rocco, F; Viola, F; Balliano, G; Milla, P; Arpicco, S; Cattel, L 29-Methylidene-2,3-oxidosqualene derivatives as stereospecific mechanism-based inhibitors of liver and yeast oxidosqualene cyclase. J Med Chem 41:540-54 (1998) [PubMed]  Article 
Target
Name:
Lanosterol synthase
Synonyms:
LSS_RAT | Lss | Osc
Type:
PROTEIN
Mol. Mass.:
83302.12
Organism:
Rattus norvegicus
Description:
ChEMBL_12083
Residue:
733
Sequence:
MTEGTCLRRRGGPYKTEPATDLTRWRLHNELGRQRWTYYQAEEDPGREQTGLEAHSLGLDTTSYFKNLPKAQTAHEGALNGVTFYAKLQAEDGHWAGDYGGPLFLLPGLLITCHIAHIPLPAGYREEMVRYLRSVQLPDGGWGLHIEDKSTVFGTALSYVSLRILGIGPDDPDLVRARNILHKKGGAVAIPSWGKFWLAVLNVYSWEGINTLFPEMWLLPEWFPAHPSTLWCHCRQVYLPMSYCYATRLSASEDPLVQSLRQELYVEDYASIDWPAQKNNVCPDDMYTPHSWLLHVVYGLLNLYERFHSTSLRKWAIQLLYEHVAADDRFTKCISIGPISKTVNMLIRWSVDGPSSPAFQEHVSRIKDYLWLGLDGMKMQGTNGSQTWDTSFAVQALLEAGAHRRPEFLPCLQKAHEFLRLSQVPDNNPDYQKYYRHMHKGGFPFSTLDCGWIVADCTAEALKAVLLLQERCPSITEHVPRERLYDAVAVLLSMRNSDGGFATYETKRGGYLLELLNPSEVFGDIMIDYTYVECTSAVMQALRHFREYFPDHRATESRETLNQGLDFCRKKQRADGSWEGSWGVCFTYGTWFGLEAFACMGHIYQNRTACAEVAQACHFLLSRQMADGGWGEDFESCEQRRYVQSAGSQVHSTCWALLGLMAVRHPDISAQERGIRCLLGKQLPNGDWPQENISGVFNKSCAISYTNYRNIFPIWALGRFSSLYPDNTLAGHI
  
Inhibitor
Name:
BDBM50062845
Synonyms:
2,2-Dimethyl-3-(3,7,12,20-tetramethyl-16-vinyl-henicosa-3,7,11,19-tetraenyl)-oxirane | CHEMBL152272
Type:
Small organic molecule
Emp. Form.:
C31H52O
Mol. Mass.:
440.744
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6]-[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6])-[#6]=[#6]
Structure:
Search PDB for entries with ligand similarity: