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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	NSC2805
Molecular formula	C14H14O4
IUPAC name	2-(2,5-dihydroxy-4-methylphenyl)-5-methylbenzene-1,4-diol
Molecular weight	246.262
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	2.9
Synonyms	2-methyl-5-[4-methyl-2,5-bis(oxidanyl)phenyl]benzene-1,4-diol NCGC00013025-02 SCHEMBL8738069 CTK4I7697 NCI60_002280 2-(2,5-dihydroxy-4-methyl-phenyl)-5-methyl-hydroquinone BDBM80025 MLS000736491 NSC-2805 4,4'-dimethyl[1,1'-biphenyl]-2,2',5,5'-tetrol CHEMBL1527565 NCGC00096152-01 SMR000528041 AC1L58KB DTXSID30277546 NCIStruc1_000270 2-(2,5-dihydroxy-4-methylphenyl)-5-methylbenzene-1,4-diol CCG-38084 NCGC00013025 4371-34-0 cid_220284 NCI2805 ZINC1641160 2,5,5'-Tetrahydroxy-4,4'-dimethylbiphenyl AC1Q79LV HMS2820E17 NCIStruc2_000160 [ Show all ]
Inchi Key	DSVRCBOSZSZMRX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14O4/c1-7-3-13(17)9(5-11(7)15)10-6-12(16)8(2)4-14(10)18/h3-6,15-18H,1-2H3
PubChem CID	220284
ChEMBL	CHEMBL1527565
IUPHAR	N/A
BindingDB	80025
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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