Reaction Details Report a problem with these data
Target
Protein-serine O-palmitoleoyltransferase porcupine
Ligand
BDBM50205470
Substrate
n/a
Meas. Tech.
ChEMBL_1628389 (CHEMBL3870974)
EC50
6.5±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:
BDBM50205470
Synonyms:
CHEMBL3968025
Type:
Small organic molecule
Emp. Form.:
C30H22N6O
Mol. Mass.:
482.5353
SMILES:
O=C(Cn1nnc(c1-c1cccc2ccccc12)-c1ccncc1)Nc1ccc(cn1)-c1ccccc1 |(26.49,-4.07,;26.51,-5.61,;25.18,-6.4,;23.72,-5.93,;23.24,-4.46,;21.7,-4.46,;21.23,-5.92,;22.47,-6.83,;22.46,-8.36,;21.12,-9.13,;21.12,-10.67,;22.45,-11.44,;23.79,-10.67,;25.11,-11.43,;26.44,-10.67,;26.44,-9.13,;25.11,-8.37,;23.79,-9.13,;19.76,-6.4,;19.44,-7.9,;17.97,-8.38,;16.83,-7.35,;17.16,-5.84,;18.62,-5.37,;27.85,-6.37,;29.17,-5.58,;30.52,-6.33,;31.84,-5.55,;31.82,-4,;30.48,-3.26,;29.15,-4.04,;33.15,-3.22,;34.49,-3.97,;35.81,-3.18,;35.79,-1.65,;34.45,-.89,;33.13,-1.68,)|
Structure:
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