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Target
Lanosterol synthase
Ligand
BDBM50095601
Substrate
n/a
Meas. Tech.
ChEBML_148886
IC50
58±n/a nM
Citation
 Brown, GR; Foubister, AJ; Johnson, MC; Newcombe, NJ; Waterson, D; Wells, SL Novel 4-piperidinopyridine inhibitors of oxidosqualene cyclase-lanosterol synthase derived by consideration of inhibitor pK(a). Bioorg Med Chem Lett 11:2213-6 (2001) [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:
BDBM50095601
Synonyms:
CHEMBL25405 | [4-(1-Aza-bicyclo[2.2.2]oct-3-yloxy)-phenyl]-(4-chloro-phenyl)-methanone
Type:
Small organic molecule
Emp. Form.:
C20H20ClNO2
Mol. Mass.:
341.831
SMILES:
Clc1ccc(cc1)C(=O)c1ccc(OC2CN3CCC2CC3)cc1 |THB:13:14:20.21:18.17,(8.94,-7.02,;7.44,-6.62,;7.03,-5.14,;5.55,-4.75,;4.47,-5.85,;4.87,-7.34,;6.36,-7.72,;2.98,-5.45,;1.89,-6.55,;2.57,-3.96,;1.08,-3.58,;.68,-2.09,;1.76,-.99,;1.36,.49,;-.13,.89,;-1.37,.23,;-2.35,1.8,;-4.22,1.75,;-2.98,2.49,;-1.1,2.42,;-.62,3.39,;-1.73,3.01,;3.25,-1.38,;3.65,-2.86,)|
Structure:
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