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GPCR

NameNeuropeptide S receptor
SpeciesHomo sapiens (Human)
GeneNPSR1
SynonymNPS receptor
PGR14
GPR154
G-protein coupled receptor PGR14
G-protein coupled receptor for asthma susceptibility
[ 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

NameMLS000087448
Molecular formulaC23H28N2O3
IUPAC name(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
Molecular weight380.488
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.6
SynonymsSMR000023671
7-methoxy-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]-4,5-dihydronaphtho[2,1-d]isoxazole
(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone
AC1MMSH6
MLS001367879
[ Show all ]
Inchi KeyACSOCEKWTHPJOF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N2O3/c1-22(2)10-15-11-23(3,12-22)13-25(15)21(26)19-18-7-5-14-9-16(27-4)6-8-17(14)20(18)28-24-19/h6,8-9,15H,5,7,10-13H2,1-4H3
PubChem CID3243720
ChEMBLCHEMBL1610796
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
Potency10000.0 nMPubChem BioAssay data setChEMBL

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