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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	MLS000324743
Molecular formula	C27H29N3O5
IUPAC name	methyl 2-[[[5-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]phenyl]-phenylmethyl]amino]acetate
Molecular weight	475.545
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.2
Synonyms	CHEMBL1573548 MolPort-002-810-118 2-[[[5-methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]phenyl]-phenylmethyl]amino]acetic acid methyl ester MCULE-2855448870 BDBM62087 methyl {[{2-[({[(benzyloxy)carbonyl]amino}acetyl)amino]-5-methylphenyl}(phenyl)methyl]amino}acetate cid_3527724 REGID_for_CID_3527724 methyl 2-[[[5-methyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]phenyl]-phenyl-methyl]amino]ethanoate 2-[[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]-5-methyl-phenyl]-phenyl-methyl]amino]acetic acid methyl ester HMS2362I09 SMR000163715 AC1MS2OB methyl 2-[[[5-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]phenyl]-phenylmethyl]amino]acetate [ Show all ]
Inchi Key	DOSJTEVSWNHNRS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H29N3O5/c1-19-13-14-23(30-24(31)16-29-27(33)35-18-20-9-5-3-6-10-20)22(15-19)26(28-17-25(32)34-2)21-11-7-4-8-12-21/h3-15,26,28H,16-18H2,1-2H3,(H,29,33)(H,30,31)
PubChem CID	3527724
ChEMBL	CHEMBL1573548
IUPHAR	N/A
BindingDB	62087
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	15848.9 nM	PubChem BioAssay data set	ChEMBL

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