Reaction Details Report a problem with these data
Target
Translocator protein
Ligand
BDBM50199452
Substrate
n/a
Meas. Tech.
ChEMBL_1621628 (CHEMBL3863911)
Ki
2200±n/a nM
Citation
 Tosh, DK; Ciancetta, A; Warnick, E; Crane, S; Gao, ZG; Jacobson, KA Structure-Based Scaffold Repurposing for G Protein-Coupled Receptors: Transformation of Adenosine Derivatives into 5HT J Med Chem 59:11006-11026 (2016) [PubMed]  Article 
Target
Name:
Translocator protein
Synonyms:
BZRP | MBR | Mitochondrial benzodiazepine receptor | PBR | PKBS | Peripheral benzodiazepine receptor-related protein | Peripheral-type benzodiazepine receptor | TSPO | TSPO_HUMAN
Type:
Enzyme
Mol. Mass.:
18834.74
Organism:
Homo sapiens (Human)
Description:
P30536
Residue:
169
Sequence:
MAPPWVPAMGFTLAPSLGCFVGSRFVHGEGLRWYAGLQKPSWHPPHWVLGPVWGTLYSAMGYGSYLVWKELGGFTEKAVVPLGLYTGQLALNWAWPPIFFGARQMGWALVDLLLVSGAAAATTVAWYQVSPLAARLLYPYLAWLAFTTTLNYCVWRDNHGWRGGRRLPE
  
Inhibitor
Name:
BDBM50199452
Synonyms:
CHEMBL3956531
Type:
Small organic molecule
Emp. Form.:
C22H28ClN5O4
Mol. Mass.:
461.942
SMILES:
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)OCCC |r|
Structure:
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