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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	4-chlorobenzaldehyde N-phenylsemicarbazone
Molecular formula	C14H12ClN3O
IUPAC name	1-[(E)-(4-chlorophenyl)methylideneamino]-3-phenylurea
Molecular weight	273.72
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.2
Synonyms	1-[(E)-(4-chlorophenyl)methylideneamino]-3-phenylurea NSC213892 ST036458 AC1OAOEO KB-97823 {[(1E)-2-(4-chlorophenyl)-1-azavinyl]amino}-N-benzamide ARONIS018756 MolPort-009-658-259 CHEMBL3191729 SCHEMBL17452451 STK059505 AKOS000485968 MLS000575465 (2E)-2-(4-chlorobenzylidene)-N-phenylhydrazinecarboxamide BB0274036 NSC-213892 93535-29-6 DTXSID00425931 SMR000184715 ZINC31729551 AN-329/40405109 MolPort-001-024-586 [ Show all ]
Inchi Key	ABYDHFCNXZFOEE-MHWRWJLKSA-N
Inchi ID	InChI=1S/C14H12ClN3O/c15-12-8-6-11(7-9-12)10-16-18-14(19)17-13-4-2-1-3-5-13/h1-10H,(H2,17,18,19)/b16-10+
PubChem CID	6862758
ChEMBL	CHEMBL3191729
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	7943.3 nM	PubChem BioAssay data set	ChEMBL

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