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Target
Squalene synthase
Ligand
BDBM50388398
Substrate
n/a
Meas. Tech.
ChEMBL_1352847 (CHEMBL3269019)
IC50
100000±n/a nM
Citation
 Li, K; Schurig-Briccio, LA; Feng, X; Upadhyay, A; Pujari, V; Lechartier, B; Fontes, FL; Yang, H; Rao, G; Zhu, W; Gulati, A; No, JH; Cintra, G; Bogue, S; Liu, YL; Molohon, K; Orlean, P; Mitchell, DA; Freitas-Junior, L; Ren, F; Sun, H; Jiang, T; Li, Y; Guo, RT; Cole, ST; Gennis, RB; Crick, DC; Oldfield, E Multitarget drug discovery for tuberculosis and other infectious diseases. J Med Chem 57:3126-39 (2014) [PubMed]  Article 
Target
Name:
Squalene synthase
Synonyms:
FDFT1 | FDFT_HUMAN | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | SQS | SS | Squalene synthetase
Type:
PROTEIN
Mol. Mass.:
48114.76
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1352847
Residue:
417
Sequence:
MEFVKCLGHPEEFYNLVRFRIGGKRKVMPKMDQDSLSSSLKTCYKYLNQTSRSFAAVIQALDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQVLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVGIGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYVKKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTRQIISTIRTQNLPNCQLISRSHYSPIYLSFVMLLAALSWQYLTTLSQVTEDYVQTGEH
  
Inhibitor
Name:
BDBM50388398
Synonyms:
CHEMBL561057 | SQ-109
Type:
Small organic molecule
Emp. Form.:
C22H38N2
Mol. Mass.:
330.5505
SMILES:
CC(C)=CCC\C(C)=C\CNCCNC1C2CC3CC(C2)CC1C3 |TLB:18:19:16.17.23:14,23:22:20:16.17.18,13:14:20:16.17.18,13:14:16.17.23:20.19.21,THB:18:17:14:20.19.21,23:17:20:22.14.21,21:19:16:23.22.14,21:22:16:20.18.19,13:14:16:20.18.19,(-5.14,2.27,;-5.13,1.44,;-5.84,1.02,;-4.41,1.04,;-3.7,1.46,;-2.98,1.06,;-2.28,1.48,;-2.29,2.3,;-1.56,1.08,;-.85,1.5,;-.13,1.09,;.58,1.51,;1.3,1.11,;2.04,1.48,;2.72,1.02,;2.74,.22,;2.11,-.47,;2.91,-.24,;3.67,-.52,;4.2,.17,;3.46,-.03,;4.19,.99,;3.44,1.28,;2.89,.61,)|
Structure:
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