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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

NameMLS000032393
Molecular formulaC26H26N6O3
IUPAC name3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
Molecular weight470.533
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.9
SynonymsAKOS000700984
MCULE-3253267137
3-[[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CHEBI:104966
Oprea1_506285
[ Show all ]
Inchi KeyBMDSAZDIDMDPRU-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N6O3/c1-18-9-10-23-20(12-18)13-21(26(33)27-23)15-31(14-19-6-3-4-8-24(19)34-2)17-25-28-29-30-32(25)16-22-7-5-11-35-22/h3-13H,14-17H2,1-2H3,(H,27,33)
PubChem CID647823
ChEMBLCHEMBL1608455
IUPHARN/A
BindingDB42408
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Potency10000.0 nMPubChem BioAssay data setChEMBL

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