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Target
Phosphodiesterase
Ligand
BDBM50027176
Substrate
n/a
Meas. Tech.
ChEMBL_1922357 (CHEMBL4425313)
IC50
580000±n/a nM
Citation
 Jansen, C; Kooistra, AJ; Kanev, GK; Leurs, R; de Esch, IJ; de Graaf, C PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design. J Med Chem 59:7029-65 (2016) [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:
BDBM50027176
Synonyms:
2-Acetoxy-Benzoic Acid | 3-Isobutyl-Methylxanthine | CHEBI:34795 | ISOBUTYLMETHYLXANTHINE
Type:
Small organic molecule
Emp. Form.:
C10H14N4O2
Mol. Mass.:
222.2438
SMILES:
CC(C)Cn1c2[nH]cnc2c(=O)n(C)c1=O
Structure:
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