Reaction Details Report a problem with these data
Target
Lanosterol synthase
Ligand
BDBM50055644
Substrate
n/a
Meas. Tech.
ChEMBL_148904 (CHEMBL756758)
Ki
4400±n/a nM
Citation
Stach, D; Zheng, YF; Perez, AL; Oehlschlager, AC; Abe, I; Prestwich, GD; Hartman, PG Synthesis and inhibition studies of sulfur-substituted squalene oxide analogues as mechanism-based inhibitors of 2,3-oxidosqualene-lanosterol cyclase. J Med Chem 40:201-9 (1997) [PubMed] Article
More Info.:
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:
BDBM50055644
Synonyms:
2-Methyl-3-((7E,11E,15Z)-3,7,12,20-tetramethyl-16-vinyl-henicosa-7,11,15,19-tetraenyl)-oxirane | CHEMBL66528
Type:
Small organic molecule
Emp. Form.:
C30H50O
Mol. Mass.:
426.7174
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]-[#6]-[#6]-1-[#8]-[#6]-1-[#6]