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Target
Lanosterol synthase
Ligand
BDBM50108879
Substrate
n/a
Meas. Tech.
ChEMBL_1585258 (CHEMBL3821389)
IC50
386±n/a nM
Citation
 von Kleist, L; Michaelis, S; Bartho, K; Graebner, O; Schlief, M; Dreger, M; Schrey, AK; Sefkow, M; Kroll, F; Koester, H; Luo, Y Identification of Potential Off-target Toxicity Liabilities of Catechol-O-methyltransferase Inhibitors by Differential Competition Capture Compound Mass Spectrometry. J Med Chem 59:4664-75 (2016) [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:
BDBM50108879
Synonyms:
(2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide | (E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide | CHEMBL953 | Comtess | ENTACAPONE | N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide
Type:
Small organic molecule
Emp. Form.:
C14H15N3O5
Mol. Mass.:
305.286
SMILES:
CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N
Structure:
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