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GLASS

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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	DEXTRO-CAMPHORIC P-PHENETIDIDE
Molecular formula	C18H25NO4
IUPAC name	3-[(4-ethoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
Molecular weight	319.401
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.0
Synonyms	3-[(4-ethoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentanecarboxylic acid AKOS016899664 HMS3315G02 NSC59811 AC1L6IC5 CHEMBL1330377 MolPort-001-837-617 SR-01000224623 AC1Q5MYP DTXSID10289203 NSC-59811 7153-49-3 Cambridge id 5973703 MCULE-2173780165 Oprea1_296208 SR-01000224623-1 AC1Q37KX CTK5D4545 NCIOpen2_007856 3-[(4-ethoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid AKOS001334835 HMS2157D07 NSC163108 A10938 MLS000108340 SMR000104299 AC1Q37KY NSC-163108 [ Show all ]
Inchi Key	ABMQTMNKACFCFY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H25NO4/c1-5-23-13-8-6-12(7-9-13)19-15(20)14-10-11-18(4,16(21)22)17(14,2)3/h6-9,14H,5,10-11H2,1-4H3,(H,19,20)(H,21,22)
PubChem CID	246560
ChEMBL	CHEMBL1330377
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

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

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