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Target
Phosphodiesterase
Ligand
BDBM50397078
Substrate
n/a
Meas. Tech.
ChEMBL_863633 (CHEMBL2175365)
IC50
130±n/a nM
Citation
 Orrling, KM; Jansen, C; Vu, XL; Balmer, V; Bregy, P; Shanmugham, A; England, P; Bailey, D; Cos, P; Maes, L; Adams, E; van den Bogaart, E; Chatelain, E; Ioset, JR; van de Stolpe, A; Zorg, S; Veerman, J; Seebeck, T; Sterk, GJ; de Esch, IJ; Leurs, R Catechol pyrazolinones as trypanocidals: fragment-based design, synthesis, and pharmacological evaluation of nanomolar inhibitors of trypanosomal phosphodiesterase B1. J Med Chem 55:8745-56 (2012) [PubMed]  Article 
Target
Name:
Phosphodiesterase
Synonyms:
Class I phosphodiesterase PDEB1 | PDEB1
Type:
PROTEIN
Mol. Mass.:
103788.82
Organism:
Leishmania major
Description:
ChEMBL_863633
Residue:
940
Sequence:
MHSAVFSPDAPYCGAAGSNHLCEAVALCQSILARYRRTGTSFSSTELKAIQALRTEFPDTAQEPAANSAASPDQTTKDFLSILDDATDVPHNPQNDIVAFVEECCDNTKEPTVLFAAINERISAVTCSRNVRTYMVIANDNLLWDPVNGVAALIDDVTPLGKCAQARNMLTIANTLYIPLWFRSELVGCVEVPGACIPRDKATCAQLLLRCVTVAVRNSINISIRKREANKIEAMVGMATRLARDTLEESVLVQSIINTAKTLTESDRCSIFLVKADGSLEAHFEDGNVVVLPAGTGIAGHVAESGAVVNIPNAYEDDRFHRSVDKVTGYHTRTILCLPIAFEGTIVAVAQLINKLDMVTQSGQRLPRVFGRRDEELFETFSMFAAASLRNCRINETLLKEKKKSDAILDVVALLSNTDIRDVDSIVRHVLHGAKKLLNADRSSMFLLDKERNELYSKMADSANEIRFPCGQGIAGTVAESGVGENIMDAYADSRFNSAVDRQLGYRTQSILCEPITLNGEVLAVVQLVNKLGDDGSVTCFTPMDRETFQVFSLFAGISINNSHLLEFAVNAGREAMTLSLQRNSITAQRAPKSVKVIAVTPEEREAVMSIDFGGAYDFTSPGFNLFEVREKYSEPMDAAAGVVYNLLWNSGLPEKFGCREQTLLNFILQCRRRYRRVPYHNFYHVVDVCQTLHTYLYTGKASELLTELECYVLLVTALVHDLDHMGVNNSFYLKTDSPLGILSSASGNNSVLEVHHCSLAIEILSDPAADVFEGLSGQDVAYAYRALIDCVLATDMAKHADALSRFTELATSGFEKDNDTHRRLVMETLIKAGDVSNVTKPFETSRMWAMAVTEEFYRQGDMEKEKGVEVLPMFDRSKNNELARGQIGFIDFVAGKFFRDIVGNLFHGMQWCVDTVNSNRAKWQEILDGRRDSIRSSIV
  
Inhibitor
Name:
BDBM50397078
Synonyms:
CHEMBL2171452
Type:
Small organic molecule
Emp. Form.:
C30H38N6O4
Mol. Mass.:
546.6605
SMILES:
COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28|
Structure:
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