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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	MLS001033995
Molecular formula	C24H22Cl2N2O
IUPAC name	2-[[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol
Molecular weight	425.353
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	5.4
Synonyms	AC1N11UX KSC-8-69-110428 CHEMBL1438983 KUC104277N-2 2-[[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol KSC-8-69 BDBM68163 KUC104277N cid_3947745 KSC-8-69-100629 KUC104277N-02 2-[[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenyl-ethanol HMS2710O20 SMR000385827 [ Show all ]
Inchi Key	DHVLQBMFWWTSRF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H22Cl2N2O/c25-17-10-11-18(22(26)12-17)20(21-14-28-23-9-5-4-8-19(21)23)13-27-15-24(29)16-6-2-1-3-7-16/h1-12,14,20,24,27-29H,13,15H2
PubChem CID	3947745
ChEMBL	CHEMBL1438983
IUPHAR	N/A
BindingDB	68163
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

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

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