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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

NameSMR000030980
Molecular formulaC18H24N4O2S
IUPAC name6-morpholin-4-yl-3-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one
Molecular weight360.476
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.5
Synonyms6-morpholin-4-yl-3-(2-pyrrolidin-1-ylethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
AC1MMBU7
MLS000095426
MLS002588591
CHEMBL1327884
[ Show all ]
Inchi KeyABZJJNYCDSEYKI-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24N4O2S/c23-17-15-13-14(21-9-11-24-12-10-21)3-4-16(15)19-18(25)22(17)8-7-20-5-1-2-6-20/h3-4,13H,1-2,5-12H2,(H,19,25)
PubChem CID3236299
ChEMBLCHEMBL1327884
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
Potency1584.9 nMPubChem BioAssay data setChEMBL

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