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Target
Bile salt-activated lipase
Ligand
BDBM50286879
Substrate
n/a
Meas. Tech.
ChEMBL_154779 (CHEMBL873410)
KON
4000.000000 M-1s-1
Citation
 Lin, G; Liu, HC; Tsai, YC Atropisomeric carbamoyl type inhibitors of pancreatic cholesterol esterase Bioorg Med Chem Lett 6:43-46 (1996)    Article 
Target
Name:
Bile salt-activated lipase
Synonyms:
CEL | CEL_BOVIN | Cholesterol esterase
Type:
PROTEIN
Mol. Mass.:
65152.77
Organism:
Bos taurus
Description:
ChEMBL_154778
Residue:
597
Sequence:
LGASRLGPSPGCLAVASAAKLGSVYTEGGFVEGVNKKLSLFGDSIDIFKGIPFAAAPKALEKPERHPGWQGTLKAKSFKKRCLQATLTQDSTYGNEDCLYLNIWVPQGRKEVSHDLPVMIWIYGGAFLMGASQGANFLSNYLYDGEEIATRGNVIVVTFNYRVGPLGFLSTGDSNLPGNYGLWDQHMAIAWVKRNIEAFGGDPDNITLFGESAGGASVSLQTLSPYNKGLIKRAISQSGVGLCPWAIQQDPLFWAKRIAEKVGCPVDDTSKMAGCLKITDPRALTLAYKLPLGSTEYPKLHYLSFVPVIDGDFIPDDPVNLYANAADVDYIAGTNDMDGHLFVGMDVPAINSNKQDVTEEDFYKLVSGLTVTKGLRGANATYEVYTEPWAQDSSQETRKKTMVDLETDILFLIPTKIAVAQHKSHAKSANTYTYLFSQPSRMPIYPKWMGADHADDLQYVFGKPFATPLGYRAQDRTVSKAMIAYWTNFARTGDPNTGHSTVPANWDPYTLEDDNYLEINKQMDSNSMKLHLRTNYLQFWTQTYQALPTVTSAGASLLPPEDNSQASPVPPADNSGAPTEPSAGDSEVAQMPVVIGF
  
Inhibitor
Name:
BDBM50286879
Synonyms:
Butyl-carbamic acid 2'-butylcarbamoyloxy-[1,1']binaphthalenyl-2-yl ester | CHEMBL141926
Type:
Small organic molecule
Emp. Form.:
C30H32N2O4
Mol. Mass.:
484.5861
SMILES:
CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12 |(16.13,.89,;14.79,1.65,;13.46,.88,;12.12,1.65,;10.79,.86,;9.45,1.63,;9.43,3.17,;8.12,.86,;6.77,1.63,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,;5.44,.84,;5.44,-.7,;4.11,-1.47,;2.78,-.7,;1.45,-1.47,;1.45,-3.01,;.12,-.68,;-1.23,-1.47,;-2.56,-.68,;-3.9,-1.45,;-5.23,-.68,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,)|
Structure:
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