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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	MLS000761483
Molecular formula	C20H19ClN2O
IUPAC name	7-[(2-chlorophenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol
Molecular weight	338.835
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.5
Synonyms	7-[(2-chlorophenyl)-pyrrolidino-methyl]quinolin-8-ol cid_5187118 SMR000371583 AKOS000807942 KUC112871N 7-[(2-chlorophenyl)-pyrrolidin-1-yl-methyl]quinolin-8-ol Oprea1_225050 7-[(2-chlorophenyl)pyrrolidinylmethyl]quinolin-8-ol HMS2681I13 ST50037288 7-[(2-chlorophenyl)(pyrrolidin-1-yl)methyl]quinolin-8-ol AKOS016290438 MCULE-5091568330 7-[(2-chlorophenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol CHEMBL1585527 Oprea1_813706 AC1NPY8G KSC-335-034 STL305051 7-[(2-chlorophenyl)-(1-pyrrolidinyl)methyl]-8-quinolinol BDBM64703 [ Show all ]
Inchi Key	AATWULBPEFPAGD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19ClN2O/c21-17-8-2-1-7-15(17)19(23-12-3-4-13-23)16-10-9-14-6-5-11-22-18(14)20(16)24/h1-2,5-11,19,24H,3-4,12-13H2
PubChem CID	5187118
ChEMBL	CHEMBL1585527
IUPHAR	N/A
BindingDB	64703
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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