Reaction Details Report a problem with these data
Target
Protein-serine O-palmitoleoyltransferase porcupine
Ligand
BDBM50205490
Substrate
n/a
Meas. Tech.
ChEMBL_1628389 (CHEMBL3870974)
EC50
40±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:
BDBM50205490
Synonyms:
CHEMBL3908747
Type:
Small organic molecule
Emp. Form.:
C27H22N6O
Mol. Mass.:
446.5032
SMILES:
Cc1ccccc1-c1c(nnn1CC(=O)Nc1ccc(cn1)-c1ccccc1)-c1ccncc1 |(60.11,-49.86,;58.78,-50.63,;58.78,-52.16,;57.44,-52.94,;56.1,-52.16,;56.11,-50.62,;57.45,-49.86,;57.46,-48.33,;56.22,-47.42,;56.69,-45.96,;58.23,-45.96,;58.71,-47.42,;60.17,-47.9,;61.49,-47.11,;61.47,-45.57,;62.84,-47.87,;64.16,-47.08,;65.51,-47.83,;66.82,-47.05,;66.8,-45.5,;65.47,-44.75,;64.14,-45.54,;68.13,-44.71,;69.48,-45.47,;70.8,-44.68,;70.78,-43.14,;69.43,-42.39,;68.11,-43.17,;54.75,-47.9,;54.43,-49.4,;52.96,-49.88,;51.82,-48.84,;52.14,-47.34,;53.61,-46.86,)|
Structure:
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