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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

NameSMR000104366
Molecular formulaC18H22N2O5S
IUPAC nameN-(2,4-dimethoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
Molecular weight378.443
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.3
SynonymsCBMicro_012944
Oprea1_614386
MLS000108408
AC1LR219
CHEMBL1523097
[ Show all ]
Inchi KeyADSMQVJAZHSKTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H22N2O5S/c1-13-5-7-14(8-6-13)20(26(4,22)23)12-18(21)19-16-10-9-15(24-2)11-17(16)25-3/h5-11H,12H2,1-4H3,(H,19,21)
PubChem CID1361027
ChEMBLCHEMBL1523097
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
Potency2511.9 nMPubChem BioAssay data setChEMBL

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