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GPCR

Name	Neuropeptide S receptor
Species	Homo sapiens (Human)
Gene	NPSR1
Synonym	G-protein coupled receptor for asthma susceptibility vasopressin receptor-related receptor 1 G protein-coupled receptor 154 PGR14 NPS receptor G-protein coupled receptor 154 GPR154 G-protein coupled receptor PGR14 VRR1 [ Show all ]
Disease	Neurological disease
Length	371
Amino acid sequence	MPANFTEGSFDSSGTGQTLDSSPVACTETVTFTEVVEGKEWGSFYYSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKKKSRMTFFVTQLAITDSFTGLVNILTDINWRFTGDFTAPDLVCRVVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGEKQARVLIVIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISIMYGIVIRTIWIKSKTYETVISNCSDGKLCSSYNRGLISKAKIKAIKYSIIIILAFICCWSPYFLFDILDNFNLLPDTQERFYASVIIQNLPALNSAINPLIYCVFSSSISFPCREQRSQDSRMTFRERTERHEMQILSKPEFI
UniProt	Q6W5P4
Protein Data Bank	N/A
GPCR-HGmod model	Q6W5P4
3D structure model	This predicted structure model is from GPCR-EXP Q6W5P4.
BioLiP	N/A
Therapeutic Target Database	T20958
ChEMBL	CHEMBL5162
IUPHAR	302
DrugBank	BE0000948

Ligand

Name	(+)-PD 128907 hydrochloride
Molecular formula	C14H20ClNO3
IUPAC name	(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol;hydrochloride
Molecular weight	285.768
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	None
Synonyms	CHEMBL1256778 J-002884 MolPort-003-959-173 PD128907 HCl SCHEMBL15937756 ST24034753 ( inverted question mark)-PD 128,907 hydrochloride (+/-)-PD 128,907 hydrochloride, solid, >=98% (HPLC) 112960-16-4 AK164058 EU-0100988 LP00988 NCGC00261723-01 R(-)-PD 128,908 hydrochloride SR-01000075396 trans-( inverted exclamation markA)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-[1]benzopyrano[4,3-b]-1,4-oxazin-9-ol hydrochloride (+)-PD 128,907 hydrochloride, >97%, solid (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol hydrochloride AX8300668 HY-110000 MFCD00210210 PD 125,530 S(+)-(4aR,10bR)-3,4,4a,10b- SR-01000597915 (+)PD 128907 (?)-PD 128,907 hydrochloride CS-0032813 J-017752 NCGC00094286-01 PD128907 Hydrochloride SMR001230774 Tetrahydro-4-propyl-2H,5H-[1]benzopyrano-[4,3-b]-1,4-oxazin-9-ol hydrochloride (+)-(4aR,10bR)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-[1]benzopyrano[4,3-b]-1,4-oxazin-9-ol hydrochloride (4aR,10bR)-3,4a,4,10b-Tetrahydro-4-propyl-2H,5H-[1]benzopyrano-[4,3-b]-1,4-oxazin-9-ol hydrochloride 300576-59-4 AKOS015900216 EU-0101038 LP01038 P-183 R(-)-PD 128,908 hydrochloride, >97%, solid SR-01000075396-1 trans-(+/-)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-[1]benzopyrano[4,3-b]-1,4-oxazin-9-ol hydrochloride (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-[1]benzopyrano[4,3-b][1,4]oxazin-9-ol hydrochloride I14-10033 MLS002153393 PD 125530 S(+)-PD 128,907 hydrochloride SR-01000597915-1 ( inverted exclamation markA)-PD 128,907 hydrochloride (+/-)-PD 128,907 hydrochloride (y)-PD 128,907 hydrochloride DS-8408 KB-277078 NCGC00094286-02 R( C)-(4aS,10bS)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-[1]benzopyrano-[4,3-b]-1,4-oxazin-9-ol SPD-128907 Tox21_501038 (+)-PD 128,907 hydrochloride (4aR,10bR)-4-Propyl-3,4,4a,10b-tetrahydro-2H,5H-chromeno[4,3-b][1,4]oxazin-9-ol hydrochloride A820165 API0008818 EX-3305 LS-191187 P-216 rel-(4aR,10bR)-4-Propyl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol hydrochloride SR-01000075396-2 (+)-PD 128970 HCl (4aR,10bR)-rel-4-Propyl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol hydrochloride [ Show all ]
Inchi Key	DCFXOTRONMKUJB-QMDUSEKHSA-N
Inchi ID	InChI=1S/C14H19NO3.ClH/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15;/h3-4,8,12,14,16H,2,5-7,9H2,1H3;1H/t12-,14-;/m1./s1
PubChem CID	11957668
ChEMBL	CHEMBL1256778
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Potency	251.2 nM	PubChem BioAssay data set	ChEMBL
Potency	12589.3 nM	PubChem BioAssay data set	ChEMBL

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