Ki Summary

Reaction Details

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Target

Squalene synthase

Ligand

BDBM50388398

Substrate/Competitor

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 Chem57:3126-39 (2014) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Squalene synthase

Name:

Squalene synthase

Synonyms:

Type:

PROTEIN

Mol. Mass.:

48114.76

Organism:

Homo sapiens (Human)

Description:

ChEMBL_1352847

Residue:

417

Sequence:

MEFVKCLGHPEEFYNLVRFRIGGKRKVMPKMDQDSLSSSLKTCYKYLNQTSRSFAAVIQA
LDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQ
VLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVG
IGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYV
KKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATL
AACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTR
QIISTIRTQNLPNCQLISRSHYSPIYLSFVMLLAALSWQYLTTLSQVTEDYVQTGEH

BDBM50388398

n/a

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