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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

NameBAS 03609370
Molecular formulaC21H20F3N3O3S
IUPAC name3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
Molecular weight451.464
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.9
SynonymsSMR000117564
3-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-[2-(2-methoxy-phenyl)-ethyl]-propionamide
MLS000527090
MLS002535040
CHEMBL1398953
[ Show all ]
Inchi KeyAAYYZVXOTIKGMI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F3N3O3S/c1-29-16-6-3-2-5-14(16)8-10-25-19(28)9-12-31-20-26-15(17-7-4-11-30-17)13-18(27-20)21(22,23)24/h2-7,11,13H,8-10,12H2,1H3,(H,25,28)
PubChem CID1164818
ChEMBLCHEMBL1398953
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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