Reaction Details Report a problem with these data
Target
Hormone-sensitive lipase
Ligand
BDBM120365
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7.2±n/a
Temperature
277.15±n/a K
IC50
7.7±n/a nM
Comments
extracted
Citation
 Hunziker, D; Neidhart, W Azaspirodecanone compounds US Patent  US8703807 Publication Date 4/22/2014 
Target
Name:
Hormone-sensitive lipase
Synonyms:
HSL | Hormone sensitive lipase | Hormone-sensitive lipase (HSL) | LIPE | LIPS_HUMAN
Type:
Protein
Mol. Mass.:
116599.07
Organism:
Homo sapiens (Human)
Description:
Q05469
Residue:
1076
Sequence:
MEPGSKSVSRSDWQPEPHQRPITPLEPGPEKTPIAQPESKTLQGSNTQQKPASNQRPLTQQETPAQHDAESQKEPRAQQKSASQEEFLAPQKPAPQQSPYIQRVLLTQQEAASQQGPGLGKESITQQEPALRQRHVAQPGPGPGEPPPAQQEAESTPAAQAKPGAKREPSAPTESTSQETPEQSDKQTTPVQGAKSKQGSLTELGFLTKLQELSIQRSALEWKALSEWVTDSESESDVGSSSDTDSPATMGGMVAQGVKLGFKGKSGYKVMSGYSGTSPHEKTSARNHRHYQDTASRLIHNMDLRTMTQSLVTLAEDNIAFFSSQGPGETAQRLSGVFAGVREQALGLEPALGRLLGVAHLFDLDPETPANGYRSLVHTARCCLAHLLHKSRYVASNRRSIFFRTSHNLAELEAYLAALTQLRALVYYAQRLLVTNRPGVLFFEGDEGLTADFLREYVTLHKGCFYGRCLGFQFTPAIRPFLQTISIGLVSFGEHYKRNETGLSVAASSLFTSGRFAIDPELRGAEFERITQNLDVHFWKAFWNITEMEVLSSLANMASATVRVSRLLSLPPEAFEMPLTADPTLTVTISPPLAHTGPGPVLVRLISYDLREGQDSEELSSLIKSNGQRSLELWPRPQQAPRSRSLIVHFHGGGFVAQTSRSHEPYLKSWAQELGAPIISIDYSLAPEAPFPRALEECFFAYCWAIKHCALLGSTGERICLAGDSAGGNLCFTVALRAAAYGVRVPDGIMAAYPATMLQPAASPSRLLSLMDPLLPLSVLSKCVSAYAGAKTEDHSNSDQKALGMMGLVRRDTALLLRDFRLGASSWLNSFLELSGRKSQKMSEPIAEPMRRSVSEAALAQPQGPLGTDSLKNLTLRDLSLRGNSETSSDTPEMSLSAETLSPSTPSDVNFLLPPEDAGEEAEAKNELSPMDRGLGVRAAFPEGFHPRRSSQGATQMPLYSSPIVKNPFMSPLLAPDSMLKSLPPVHIVACALDPMLDDSVMLARRLRNLGQPVTLRVVEDLPHGFLTLAALCRETRQAAELCVERIRLVLTPPAGAGPSGETGAAGVDGGCGGRH
  
Inhibitor
Name:
BDBM120365
Synonyms:
US8703807, 1
Type:
Small organic molecule
Emp. Form.:
C21H25F3N2O3
Mol. Mass.:
410.43
SMILES:
O[C@@]1(CN2CCCC2=O)CC[C@]2(CCN(C2=O)c2ccc(cc2)C(F)(F)F)CC1 |r,wU:11.16,1.0,wD:1.1,(-4.32,1.91,;-3.92,.43,;-5.01,-.66,;-6.49,-.26,;-6.97,1.2,;-8.51,1.2,;-8.99,-.26,;-7.74,-1.17,;-7.74,-2.71,;-2.83,1.51,;-1.34,1.12,;-.94,-.37,;-.47,-1.84,;1.07,-1.84,;1.55,-.37,;.3,.53,;.3,2.07,;3.04,.03,;4.13,-1.06,;5.61,-.66,;6.01,.82,;4.92,1.91,;3.43,1.51,;7.5,1.22,;8.59,.13,;7.9,2.71,;8.99,1.62,;-2.03,-1.46,;-3.52,-1.06,)|
Structure:
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