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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	(1-Ethyl-1H-benzoimidazol-2-yl)-phenyl-methanol
Molecular formula	C16H16N2O
IUPAC name	(1-ethylbenzimidazol-2-yl)-phenylmethanol
Molecular weight	252.317
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.6
Synonyms	BIM-0023859.P001 HMS2494M21 ST50004021 (1-ethylbenzimidazol-2-yl)phenylmethan-1-ol AC1ME8Y5 CCG-10358 MLS000107190 alpha-(1-Ethyl-1H-benzoimidazole-2-yl)benzyl alcohol CHEMBL1452931 SCHEMBL10823939 Cambridge id 5535582 MCULE-7147369079 STL356867 3785-64-6 AKOS000673723 CDS1_004125 MolPort-000-307-737 BAS 00631702 DivK1c_005165 SMR000111562 (1-ethylbenzimidazol-2-yl)-phenylmethanol AB00087830-01 CBMicro_023709 MixCom6_000733 UPCMLD0ENAT5457526:001 AKOS016117720 Oprea1_425541 (1-ethyl-1H-benzimidazol-2-yl)(phenyl)methanol [ Show all ]
Inchi Key	ACHLTXLLMBIWDG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H16N2O/c1-2-18-14-11-7-6-10-13(14)17-16(18)15(19)12-8-4-3-5-9-12/h3-11,15,19H,2H2,1H3
PubChem CID	2850705
ChEMBL	CHEMBL1452931
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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