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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	daphnetin
Molecular formula	C9H6O4
IUPAC name	7,8-dihydroxychromen-2-one
Molecular weight	178.143
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.2
Synonyms	C03093 ZINC57753 CS-0008778 DTXSID00197560 HSCI1_000053 Lopac-D-5564 MolPort-000-881-189 2H-1-Benzopyran-2-one, 7,8-dihydroxy- (9CI) NCGC00093770-01 7,8-Dihydroxy-2H-chromen-2-one PB17055 7,8-Dihydroxycoumarin, >=97%, powder SMR001230713 ANW-43482 SW000346-2 Tox21_500330 CD0136 D4001 EU-0100330 KB-49571 LS-55162 NCGC00015349-02 5-18-03-00211 (Beilstein Handbook Reference) NSC 633563 7,8-dihydroxy-coumarin Q-1224 ACMC-1AKCA Spectrum4_001254 BRD-K61269089-001-01-4 BSPBio_002488 XC84571RD2 CHEMBL244948 Daphnetol HMS3261A21 KBioGR_001808 MLS002153288 1,8-Dihydroxycoumarin NCGC00015349-05 7,8-Dihydroxy-2H-1-benzopyran-2-one Oprea1_044324 7,8-Dihydroxycoumarin (Daphnetin) SC-13560 AKOS000277449 SR-01000075820-2 TC-132227 CC-26254 CTK1D5894 EINECS 207-632-8 I14-12304 Lopac0_000330 N1567 486-35-1 NCGC00093770-02 7,8-Dihydroxy-2H-chromen-2-one # PubChem13303 A827573 SpecPlus_000864 ATEFPOUAMCWAQS-UHFFFAOYSA-N UNII-XC84571RD2 CHEBI:17313 FCH1116232 KBio1_001904 MCULE-9549774136 NCGC00015349-03 7,8-bis(oxidanyl)chromen-2-one NSC-633563 7,8-dihydroxychromen-2-one RP09500 AE-641/02519040 SR-01000075820 BRD-K61269089-001-02-2 C-06353 ZB002254 COUMARIN, 7,8-DIHYDROXY- DivK1c_006960 HMS3656G16 KS-0000122Z MLS006012039 2H-1-Benzopyran-2-one, 7,8-dihydroxy- NCGC00015349-06 7,8-DIHYDROXY-2H-BENZOPYRAN-2-ONE OR345097 7,8-Dihydroxycoumarin, 90% SCHEMBL128212 AN-10899 ST50308908 TCMDC-125839 CCG-39736 D 5564 EU-0000106 InChI=1/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12 LP00330 NCGC00015349-01 486D351 NCGC00261015-01 7,8-DIHYDROXY-CHROMEN-2-ONE Q-100543 AC1NQX8J Spectrum3_000784 BDBM50206006 V0328 Daphnetin, 486-35-1 FT-0603132 KBio3_001708 MFCD00016977 NCGC00015349-04 7,8-dihydroxy-1-benzopyran-2-one NSC633563 7,8-Dihydroxycoumarin s2554 AK170408 SR-01000075820-1 BRN 0009372 [ Show all ]
Inchi Key	ATEFPOUAMCWAQS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
PubChem CID	5280569
ChEMBL	CHEMBL244948
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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