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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	DAPH
Molecular formula	C20H15N3O2
IUPAC name	5,6-dianilinoisoindole-1,3-dione
Molecular weight	329.359
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	3.8
Synonyms	145915-58-8 5,6-dianilino-1h-isoindole-1,3(2h)-dione BCP27630 Cgp-52411 DAPH, >=98% (HPLC), solid MFCD00236442 RT-012225 4,5-bis-(anilino)phthalimide ABP000886 BDBM50040929 FT-0731235 NCGC00093700-02 UNII-Z13D008FZ2 5,6-Bis(phenylamino)isoindoline-1,3-dione AKOS024457581 Cgp 52411 D03QTP J587.895K NCGC00093700-05 1H-Isoindole-1,3(2H)-dione, 5,6-bis(phenylamino)- 5,6-dianilinoisoindole-1,3-dione BCP9000511 CGP52411 DAPH-1 MolPort-021-804-944 SCHEMBL11017 4,5-dianilinophthalimide AC1L1C19 BRD-K13087974-001-01-7 CHEMBL268868 HMS3260P13 NCGC00093700-03 Z13D008FZ2 5,6-Bis-phenylamino-isoindole-1,3-dione B7384 CGP 52411/CGP52411 LP00236 NCGC00260921-01 4,5-Bis(anilino)phthalimide AAALVYBICLMAMA-UHFFFAOYSA-N BCPP000288 CHEBI:53110 DTXSID4040393 NCGC00093700-01 Tox21_500236 5,6-Bis(phenylamino)-1H-isoindole-1,3(2H)-dione AC1Q6JME CCG-221540 CTK8D4606 J-008168 NCGC00093700-04 ZINC6094 [ Show all ]
Inchi Key	AAALVYBICLMAMA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)
PubChem CID	1697
ChEMBL	CHEMBL268868
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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