Reaction Details Report a problem with these data
Target
Protein-serine O-palmitoleoyltransferase porcupine
Ligand
BDBM50133870
Substrate
n/a
Meas. Tech.
ChEMBL_1689460 (CHEMBL4040030)
IC50
0.400000±n/a nM
Citation
 Ho, SY; Alam, J; Jeyaraj, DA; Wang, W; Lin, GR; Ang, SH; Tan, ESW; Lee, MA; Ke, Z; Madan, B; Virshup, DM; Ding, LJ; Manoharan, V; Chew, YS; Low, CB; Pendharkar, V; Sangthongpitag, K; Hill, J; Keller, TH; Poulsen, A Scaffold Hopping and Optimization of Maleimide Based Porcupine Inhibitors. J Med Chem 60:6678-6692 (2017) [PubMed]  Article 
Target
Name:
Protein-serine O-palmitoleoyltransferase porcupine
Synonyms:
MG61 | MG61 | PORC | PORCN | PORCN_HUMAN | PPN | Probable protein-cysteine N-palmitoyltransferase porcupine | Protein MG61 | Protein-serine O-palmitoleoyltransferase porcupine
Type:
PROTEIN
Mol. Mass.:
52337.13
Organism:
Homo sapiens (Human)
Description:
ChEMBL_103574
Residue:
461
Sequence:
MATFSRQEFFQQLLQGCLLPTAQQGLDQIWLLLAICLACRLLWRLGLPSYLKHASTVAGGFFSLYHFFQLHMVWVVLLSLLCYLVLFLCRHSSHRGVFLSVTILIYLLMGEMHMVDTVTWHKMRGAQMIVAMKAVSLGFDLDRGEVGTVPSPVEFMGYLYFVGTIVFGPWISFHSYLQAVQGRPLSCRWLQKVARSLALALLCLVLSTCVGPYLFPYFIPLNGDRLLRNKKRKARGTMVRWLRAYESAVSFHFSNYFVGFLSEATATLAGAGFTEEKDHLEWDLTVSKPLNVELPRSMVEVVTSWNLPMSYWLNNYVFKNALRLGTFSAVLVTYAASALLHGFSFHLAAVLLSLAFITYVEHVLRKRLARILSACVLSKRCPPDCSHQHRLGLGVRALNLLFGALAIFHLAYLGSLFDVDVDDTTEEQGYGMAYTVHKWSELSWASHWVTFGCWIFYRLIG
  
Inhibitor
Name:
BDBM50133870
Synonyms:
CHEBI:78030 | CHEMBL3188386 | US10251893, Compound 86
Type:
Small organic molecule
Emp. Form.:
C23H20N6O
Mol. Mass.:
396.4445
SMILES:
Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C
Structure:
Search PDB for entries with ligand similarity: