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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	MLS000574219
Molecular formula	C18H13ClN2O3
IUPAC name	4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide
Molecular weight	340.763
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.9
Synonyms	4-chloro-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(4-methylphenyl)benzamide CHEMBL1447350 SMR000195810 ksc-223-1 ZINC457881 3-[2,5-bis(oxidanylidene)pyrrol-1-yl]-4-chloranyl-N-(4-methylphenyl)benzamide BDBM66051 4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide cid_885550 SR-01000239526 AB00112820-01 KUC105881N 4-chloro-3-(2,5-dioxo-1-pyrrolyl)-N-(4-methylphenyl)benzamide MolPort-002-213-003 4-chloro-3-maleimido-N-(p-tolyl)benzamide HMS2274C17 SR-01000239526-1 AC1LHDBG MCULE-3545800132 [ Show all ]
Inchi Key	ACSISLCYYDRVIM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13ClN2O3/c1-11-2-5-13(6-3-11)20-18(24)12-4-7-14(19)15(10-12)21-16(22)8-9-17(21)23/h2-10H,1H3,(H,20,24)
PubChem CID	885550
ChEMBL	CHEMBL1447350
IUPHAR	N/A
BindingDB	66051
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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