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GPCR

NameNeuropeptide S receptor
SpeciesHomo sapiens (Human)
GeneNPSR1
SynonymG-protein coupled receptor for asthma susceptibility
vasopressin receptor-related receptor 1
G protein-coupled receptor 154
PGR14
NPS receptor
[ 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

NameSMR000091841
Molecular formulaC14H16N4O2S
IUPAC name7-amino-4-oxo-5-propan-2-yl-2-prop-2-enylsulfanyl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
Molecular weight304.368
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.1
Synonyms7-amino-4-oxo-5-(propan-2-yl)-2-(prop-2-en-1-ylsulfanyl)-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carbonitrile
HMS2265F12
STK915733
AKOS001064079
MolPort-003-250-336
[ Show all ]
Inchi KeyCYZJXPVUZCVQGI-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16N4O2S/c1-4-5-21-14-17-12(19)10-9(7(2)3)8(6-15)11(16)20-13(10)18-14/h4,7,9H,1,5,16H2,2-3H3,(H,17,18,19)
PubChem CID4605879
ChEMBLCHEMBL1578918
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
Potency25118.9 nMPubChem BioAssay data setChEMBL

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