Reaction Details Report a problem with these data
Target
Protein-serine O-palmitoleoyltransferase porcupine
Ligand
BDBM50205480
Substrate
n/a
Meas. Tech.
ChEMBL_1628389 (CHEMBL3870974)
EC50
9.0±n/a nM
Citation
 You, L; Zhang, C; Yarravarapu, N; Morlock, L; Wang, X; Zhang, L; Williams, NS; Lum, L; Chen, C Development of a triazole class of highly potent Porcn inhibitors. Bioorg Med Chem Lett 26:5891-5895 (2016) [PubMed]  Article 
Target
Name:
Protein-serine O-palmitoleoyltransferase porcupine
Synonyms:
PORCN_MOUSE | Porc | Porcn | Ppn | Probable protein-cysteine N-palmitoyltransferase porcupine | Protein-cysteine N-palmitoyltransferase porcupine | mPORC
Type:
PROTEIN
Mol. Mass.:
52528.36
Organism:
Mus musculus
Description:
ChEMBL_941167
Residue:
461
Sequence:
MATFSRQEFFQQLLQGCLLPTVQQGLDQIWLLLTICFACRLLWRLGLPSYLKHASTVAGGFFSLYHFFQLHMVWVVLLSLLCYLVLFLCRHSSHRGVFLSVTILIYLLMGEMHMVDTVTWHKMRGAQMIVAMKAVSLGFDLDRGEVGAVPSPVEFMGYLYFVGTIVFGPWISFHSYLQAVQGRPLSRRWLKKVARSLALALLCLVLSTCVGPYLFPYFIPLDGDRLLRNKKRKARGTMVRWLRAYESAVSFHFSNYFVGFLSEATATLAGAGFTEEKDHLEWDLTVSRPLNVELPRSMVEVVTSWNLPMSYWLNNYVFKNALRLGTFSAVLVTYAASALLHGFSFHLAAVLLSLAFITYVEHVLRKRLAQILSACILSKRCLPDCSHRHRLGLGVRALNLLFGALAIFHLSYLGSLFDVDVDDTTEEQGYGMAYTVHKWSELSWASHWVTFGCWIFYRLIG
  
Inhibitor
Name:
BDBM50205480
Synonyms:
CHEMBL3936691
Type:
Small organic molecule
Emp. Form.:
C27H22N6O2
Mol. Mass.:
462.5026
SMILES:
COc1ccccc1-c1c(nnn1CC(=O)Nc1ccc(cn1)-c1ccccc1)-c1ccncc1 |(9.1,-6.3,;9.1,-7.84,;7.77,-8.62,;7.77,-10.15,;6.43,-10.93,;5.1,-10.15,;5.1,-8.61,;6.44,-7.85,;6.45,-6.32,;5.21,-5.41,;5.68,-3.95,;7.22,-3.95,;7.7,-5.41,;9.16,-5.89,;10.49,-5.1,;10.46,-3.56,;11.83,-5.86,;13.15,-5.07,;14.5,-5.82,;15.82,-5.04,;15.8,-3.49,;14.46,-2.74,;13.13,-3.53,;17.13,-2.7,;18.47,-3.46,;19.79,-2.67,;19.77,-1.13,;18.43,-.38,;17.1,-1.16,;3.74,-5.89,;3.42,-7.39,;1.95,-7.87,;.81,-6.83,;1.14,-5.33,;2.6,-4.85,)|
Structure:
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