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Target
Lanosterol synthase
Ligand
BDBM50108877
Substrate
n/a
Meas. Tech.
ChEMBL_1908867 (CHEMBL4411225)
IC50
<1.000000±n/a nM
Citation
 Ernst, G; Akuma, D; Au, V; Buchler, IP; Byers, S; Carr, GV; Defays, S; de León, P; Demaude, T; DePasquale, M; Durieu, V; Huang, Y; Jigorel, E; Kimos, M; Kolobova, A; Montel, F; Moureau, F; Poslusney, M; Swinnen, D; Vandergeten, MC; Van Houtvin, N; Wei, H; White, N; Wood, M; Barrow, JC Synthesis and Evaluation of Bicyclic Hydroxypyridones as Inhibitors of Catechol  ACS Med Chem Lett 10:1573-1578 (2019) [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:
BDBM50108877
Synonyms:
(3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone | (3,4-dihydroxy-5-nitrophenyl)(p-tolyl)methanone | CHEMBL1324 | Ro-40-7592 | TOLCAPONE | Talcapone | Tasmar
Type:
Small organic molecule
Emp. Form.:
C14H11NO5
Mol. Mass.:
273.2408
SMILES:
Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O
Structure:
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