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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	SMR000105621
Molecular formula	C24H22N4O3
IUPAC name	5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
Molecular weight	414.465
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	5.0
Synonyms	5-(furan-2-ylcarbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide CBMicro_042652 MolPort-002-181-805 ZINC751915 5-[[2-furanyl(oxo)methyl]amino]-1-phenyl-N-(4-propan-2-ylphenyl)-4-pyrazolecarboxamide cid_1067709 5-(2-furoylamino)-N-p-cumenyl-1-phenyl-pyrazole-4-carboxamide BDBM47523 MLS000109681 ST015301 5-[(2-furylcarbonyl)amino]-N~4~-(4-isopropylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide Oprea1_538431 [5-(2-furylcarbonylamino)-1-phenylpyrazol-4-yl]-N-[4-(methylethyl)phenyl]carbo xamide AC1LLHVJ HMS2301G14 SR-01000439644 5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide BIM-0042681.P001 MLS002540307 STK047112 5-[(furan-2-ylcarbonyl)amino]-1-phenyl-N-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-carboxamide CHEMBL1333698 REGID_for_CID_1067709 AKOS005384774 MCULE-2462049875 SR-01000439644-1 [ Show all ]
Inchi Key	AFLCDAMJALWUAC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H22N4O3/c1-16(2)17-10-12-18(13-11-17)26-23(29)20-15-25-28(19-7-4-3-5-8-19)22(20)27-24(30)21-9-6-14-31-21/h3-16H,1-2H3,(H,26,29)(H,27,30)
PubChem CID	1067709
ChEMBL	CHEMBL1333698
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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