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GLASS

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GPCR

Name	Neuropeptide S receptor
Species	Rattus norvegicus (Rat)
Gene	Npsr1
Synonym	G-protein coupled receptor 154 GPR154 G protein-coupled receptor 154 NPS receptor PGR14 vasopressin receptor-related receptor 1 VRR1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	372
Amino acid sequence	MPANLTEGSFHANQTVPMLDSSPVACTEIVTFTEALEAEEWGSFYSSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKRKSRMTFFVTQLAITDSFTGLINILTDIIWRFTGDFMAPDLVCRIVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGAEKQAKVLIGIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISVIYGLVIRTIWIKSKAHETVISNCSDGELCCSYNRGLISKAKIKAIKYSIVIILAFICCWSPYFLFDMLDNFNLLPDTKERFYASVIIQNLPALNSAINPLIYCIFSGSLCSPCKVQRSQDSRMTYRERSERHEMQILSKPEFI
UniProt	P0C0L6
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3308949
IUPHAR	302
DrugBank	N/A

Ligand

Name	SHA-68
Molecular formula	C26H24FN3O3
IUPAC name	N-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
Molecular weight	445.494
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.7
Synonyms	847553-89-3 GTPL5813 BCP17377 N-(4-Fluorobenzyl)-3-oxo-1,1-diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxamide CHEMBL469695 SCHEMBL2856311 847555-75-3 KB-275296 SHA68 BDBM50443391 N-[(4-fluorophenyl)methyl]-3-oxo-1,1-di(phenyl)-5,6,8,8a-tetrahydro-[1,3]oxazolo[4,3-c]pyrazine-7-carboxamide D03EJP SHA 68 AKOS024458196 MolPort-035-765-747 N-[(4-Fluorophenyl)methyl]tetrahydro-3-oxo-1,1-diphenyl-3H-oxazolo[3,4-a]pyrazine-7(1H)-carboxamide [ Show all ]
Inchi Key	SFRQIPRTNYHJHP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)
PubChem CID	11374217
ChEMBL	CHEMBL469695
IUPHAR	5813
BindingDB	50443391
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
A2	25.1189 nM	PMID22342393	IUPHAR

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