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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000122330
Molecular formula	C23H25ClN6S
IUPAC name	1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine
Molecular weight	453.005
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.3
Synonyms	AKOS000797788 MCULE-9756442890 BDBM61421 SMR000119806 1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-yl-methanamine cid_3193699 AKOS024317254 [(1-tert-Butyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-(2-chloro-benzyl)-pyridin-3-ylmethyl-amine 1-(1-tert-butyl-5-tetrazolyl)-N-[(2-chlorophenyl)methyl]-N-(3-pyridinylmethyl)-1-thiophen-2-ylmethanamine HMS2363M19 AC1MLEZ6 ASN 05088562 MLS002538310 CHEMBL1432870 [(1-tert-butyltetrazol-5-yl)-(2-thienyl)methyl]-(2-chlorobenzyl)-(3-pyridylmethyl)amine 1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine [ Show all ]
Inchi Key	BHRDJGZWRNNORC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25ClN6S/c1-23(2,3)30-22(26-27-28-30)21(20-11-7-13-31-20)29(15-17-8-6-12-25-14-17)16-18-9-4-5-10-19(18)24/h4-14,21H,15-16H2,1-3H3
PubChem CID	3193699
ChEMBL	CHEMBL1432870
IUPHAR	N/A
BindingDB	61421
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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