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Target
Lanosterol synthase
Ligand
BDBM50128049
Substrate
n/a
Meas. Tech.
ChEMBL_148897 (CHEMBL754981)
IC50
640±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:
Lanosterol synthase
Synonyms:
2,3-epoxysqualene--lanosterol cyclase | LSS | LSS_HUMAN | OSC | Oxidosqualene--lanosterol cyclase
Type:
PROTEIN
Mol. Mass.:
83309.32
Organism:
Homo sapiens (Human)
Description:
ChEMBL_11231
Residue:
732
Sequence:
MTEGTCLRRRGGPYKTEPATDLGRWRLNCERGRQTWTYLQDERAGREQTGLEAYALGLDTKNYFKDLPKAHTAFEGALNGMTFYVGLQAEDGHWTGDYGGPLFLLPGLLITCHVARIPLPAGYREEIVRYLRSVQLPDGGWGLHIEDKSTVFGTALNYVSLRILGVGPDDPDLVRARNILHKKGGAVAIPSWGKFWLAVLNVYSWEGLNTLFPEMWLFPDWAPAHPSTLWCHCRQVYLPMSYCYAVRLSAAEDPLVQSLRQELYVEDFASIDWLAQRNNVAPDELYTPHSWLLRVVYALLNLYEHHHSAHLRQRAVQKLYEHIVADDRFTKSISIGPISKTINMLVRWYVDGPASTAFQEHVSRIPDYLWMGLDGMKMQGTNGSQIWDTAFAIQALLEAGGHHRPEFSSCLQKAHEFLRLSQVPDNPPDYQKYYRQMRKGGFSFSTLDCGWIVSDCTAEALKAVLLLQEKCPHVTEHIPRERLCDAVAVLLNMRNPDGGFATYETKRGGHLLELLNPSEVFGDIMIDYTYVECTSAVMQALKYFHKRFPEHRAAEIRETLTQGLEFCRRQQRADGSWEGSWGVCFTYGTWFGLEAFACMGQTYRDGTACAEVSRACDFLLSRQMADGGWGEDFESCEERRYLQSAQSQIHNTCWAMMGLMAVRHPDIEAQERGVRCLLEKQLPNGDWPQENIAGVFNKSCAISYTSYRNIFPIWALGRFSQLYPERALAGHP
  
Inhibitor
Name:
BDBM50128049
Synonyms:
CHEMBL291640 | Methyl-{4-[4-(1-oxy-piperidin-1-ylmethyl)-phenyl]-cyclohexyl}-carbamic acid 4-chloro-phenyl ester
Type:
Small organic molecule
Emp. Form.:
C26H33ClN2O3
Mol. Mass.:
457.005
SMILES:
CN([C@H]1CC[C@@H](CC1)c1ccc(C[N+]2([O-])CCCCC2)cc1)C(=O)Oc1ccc(Cl)cc1 |wU:2.1,wD:5.8,(5.79,.97,;5.79,-.57,;4.45,-1.34,;4.45,-2.88,;3.12,-3.65,;1.78,-2.88,;1.78,-1.34,;3.12,-.57,;.44,-3.65,;-.88,-2.86,;-2.22,-3.63,;-2.24,-5.17,;-3.57,-5.94,;-4.9,-5.16,;-4.91,-6.71,;-4.9,-3.63,;-6.22,-2.86,;-7.56,-3.61,;-7.56,-5.16,;-6.23,-5.94,;-.88,-5.94,;.45,-5.17,;7.13,-1.34,;7.13,-2.88,;8.47,-.57,;9.8,-1.34,;11.13,-.57,;12.46,-1.34,;12.46,-2.88,;13.81,-3.65,;11.13,-3.65,;9.8,-2.88,)|
Structure:
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