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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

NameBAS 00216743
Molecular formulaC19H14N2OS
IUPAC name3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
Molecular weight318.394
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.5
SynonymsST50219203
3-(4-methylphenyl)-2-(thiophen-2-yl)quinazolin-4(3H)-one
MLS000560954
AKOS000602215
Oprea1_865893
[ Show all ]
Inchi KeyAAASRNHSMGFXGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H14N2OS/c1-13-8-10-14(11-9-13)21-18(17-7-4-12-23-17)20-16-6-3-2-5-15(16)19(21)22/h2-12H,1H3
PubChem CID828268
ChEMBLCHEMBL1479320
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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