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GPCR

NameNeuropeptide S receptor
SpeciesHomo sapiens (Human)
GeneNPSR1
SynonymG-protein coupled receptor for asthma susceptibility
vasopressin receptor-related receptor 1
G protein-coupled receptor 154
PGR14
NPS receptor
[ Show all ]
DiseaseNeurological disease
Length371
Amino acid sequenceMPANFTEGSFDSSGTGQTLDSSPVACTETVTFTEVVEGKEWGSFYYSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKKKSRMTFFVTQLAITDSFTGLVNILTDINWRFTGDFTAPDLVCRVVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGEKQARVLIVIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISIMYGIVIRTIWIKSKTYETVISNCSDGKLCSSYNRGLISKAKIKAIKYSIIIILAFICCWSPYFLFDILDNFNLLPDTQERFYASVIIQNLPALNSAINPLIYCVFSSSISFPCREQRSQDSRMTFRERTERHEMQILSKPEFI
UniProtQ6W5P4
Protein Data BankN/A
GPCR-HGmod modelQ6W5P4
3D structure modelThis predicted structure model is from GPCR-EXP Q6W5P4.
BioLiPN/A
Therapeutic Target DatabaseT20958
ChEMBLCHEMBL5162
IUPHAR302
DrugBankBE0000948

Ligand

NameOprea1_480237
Molecular formulaC18H16N2O5S
IUPAC namemethyl 3-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]thiophene-2-carboxylate
Molecular weight372.395
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.3
Synonymsmethyl 3-{[(1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]amino}thiophene-2-carboxylate
SR-01000356749-1
AKOS005468084
MolPort-044-564-881
MCULE-6567146421
[ Show all ]
Inchi KeyAHXUSNGOCGBQSJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16N2O5S/c1-3-20-12-7-5-4-6-10(12)14(21)13(17(20)23)16(22)19-11-8-9-26-15(11)18(24)25-2/h4-9,21H,3H2,1-2H3,(H,19,22)
PubChem CID54702957
ChEMBLCHEMBL1505276
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Potency25118.9 nMPubChem BioAssay data setChEMBL

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