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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

NameMLS000834357
Molecular formulaC28H32F3NO4
IUPAC nameazocan-1-yl-[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-yl]methanone
Molecular weight503.562
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.5
SynonymsCHEMBL1462559
DHPC10_000990
DHPC11_001111
SMR000389654
azocan-1-yl((2R,4R)-2-(4-(hydroxymethyl)benzyloxy)-4-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-pyran-6-yl)methanone
Inchi KeyABOLDSLNPDUTTK-JYFHCDHNSA-N
Inchi IDInChI=1S/C28H32F3NO4/c29-28(30,31)24-12-10-22(11-13-24)23-16-25(27(34)32-14-4-2-1-3-5-15-32)36-26(17-23)35-19-21-8-6-20(18-33)7-9-21/h6-13,16,23,26,33H,1-5,14-15,17-19H2/t23-,26+/m0/s1
PubChem CID16195787
ChEMBLCHEMBL1462559
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Potency10000.0 nMPubChem BioAssay data setChEMBL

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