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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	4035-38-5
Molecular formula	C19H15ClN2O
IUPAC name	5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole
Molecular weight	322.792
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.8
Synonyms	2-[3-(4-chlorophenyl)-1-phenyl-2-pyrazolin-5-yl]furan 5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole CBMicro_014395 MCULE-5226471226 STK739721 3-(4-chlorophenyl)-5-(2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole AC1MDD9A cid_2834912 SMR000431350 BDBM47506 HMS2812L03 SR-01000535256-1 3-(4-Chloro-phenyl)-5-furan-2-yl-1-phenyl-4,5-dihydro-1H-pyrazole 5N-759 MLS000768037 VU0345411-2 3-(4-chlorophenyl)-5-(furan-2-yl)-1-phenyl-4,5-dihydro-1H-pyrazole AKOS001024869 CTK1C9774 SMSF0004797 1H-Pyrazole, 3-(4-chlorophenyl)-5-(2-furanyl)-4,5-dihydro-1-phenyl- 5-(4-chlorophenyl)-3-(2-furanyl)-2-phenyl-3,4-dihydropyrazole BIM-0014262.P001 KS-000039Z9 ST4067222 3-(4-chlorophenyl)-5-(2-furyl)-1-phenyl-2-pyrazoline A2657/0113285 CHEMBL1332070 MolPort-000-454-448 Z56797033 AKOS016245231 DTXSID80385423 SR-01000535256 [ Show all ]
Inchi Key	AFDOVMFLHLZNFH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15ClN2O/c20-15-10-8-14(9-11-15)17-13-18(19-7-4-12-23-19)22(21-17)16-5-2-1-3-6-16/h1-12,18H,13H2
PubChem CID	2834912
ChEMBL	CHEMBL1332070
IUPHAR	N/A
BindingDB	47506
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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