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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	4-{[4-(diphenylmethyl)piperazin-1-yl]carbonyl}-2-methylphthalazin-1(2H)-one
Molecular formula	C27H26N4O2
IUPAC name	4-(4-benzhydrylpiperazine-1-carbonyl)-2-methylphthalazin-1-one
Molecular weight	438.531
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.8
Synonyms	4-[(4-benzhydrylpiperazino)carbonyl]-2-methyl-1(2H)-phthalazinone SR-01000046085 Z27755516 736189-79-0 MCULE-3384196515 AKOS005536550 NCGC00302363-01 4-[4-(diphenylmethyl)piperazine-1-carbonyl]-2-methyl-1,2-dihydrophthalazin-1-one CHEMBL1392224 SR-01000046085-1 ZINC21004245 AB00646051-06 MLS001006609 4-(4-benzhydrylpiperazine-1-carbonyl)-2-methylphthalazin-1-one AO-080/43441674 SMR000349581 HMS2751P22 STK665971 AC1M7Z7X MolPort-004-026-235 [ Show all ]
Inchi Key	ACRPGFQTNGPPRE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H26N4O2/c1-29-26(32)23-15-9-8-14-22(23)24(28-29)27(33)31-18-16-30(17-19-31)25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,25H,16-19H2,1H3
PubChem CID	2476953
ChEMBL	CHEMBL1392224
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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