Reaction Details Report a problem with these data
Target
Neuropeptide S receptor
Ligand
BDBM50412707
Substrate
n/a
Meas. Tech.
ChEMBL_743234 (CHEMBL1768988)
EC50
0.851±n/a nM
Citation
 Trapella, C; Pela, M; Del Zoppo, L; Calo, G; Camarda, V; Ruzza, C; Cavazzini, A; Costa, V; Bertolasi, V; Reinscheid, RK; Salvadori, S; Guerrini, R Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68). J Med Chem 54:2738-44 (2011) [PubMed]  Article 
Target
Name:
Neuropeptide S receptor
Synonyms:
GPR154 | GPRA | NPSR1 | NPSR1_HUMAN | PGR14
Type:
PROTEIN
Mol. Mass.:
42692.30
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1276607
Residue:
371
Sequence:
MPANFTEGSFDSSGTGQTLDSSPVACTETVTFTEVVEGKEWGSFYYSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKKKSRMTFFVTQLAITDSFTGLVNILTDINWRFTGDFTAPDLVCRVVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGEKQARVLIVIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISIMYGIVIRTIWIKSKTYETVISNCSDGKLCSSYNRGLISKAKIKAIKYSIIIILAFICCWSPYFLFDILDNFNLLPDTQERFYASVIIQNLPALNSAINPLIYCVFSSSISFPCREQRSQDSRMTFRERTERHEMQILSKPEFI
  
Inhibitor
Name:
BDBM50412707
Synonyms:
CHEMBL230333
Type:
Small organic molecule
Emp. Form.:
C93H155N31O28S
Mol. Mass.:
2187.482
SMILES:
CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |r|
Structure:
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