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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

NameSMR000201450
Molecular formulaC23H23N3O3S2
IUPAC nameethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Molecular weight453.575
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.5
SynonymsMLS000582747
ethyl 6-[(1,3-benzothiazol-2-ylthio)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
AC1MG1H9
MLS002548479
CHEMBL1430749
[ Show all ]
Inchi KeyADZIFSDZYDYNQJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23N3O3S2/c1-4-29-21(27)19-17(12-30-23-25-16-7-5-6-8-18(16)31-23)24-22(28)26-20(19)15-11-13(2)9-10-14(15)3/h5-11,20H,4,12H2,1-3H3,(H2,24,26,28)
PubChem CID2979065
ChEMBLCHEMBL1430749
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
Potency12589.3 nMPubChem BioAssay data setChEMBL

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