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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

Nameethyl 1-(3-benzoylquinolin-4-yl)piperidine-3-carboxylate
Molecular formulaC24H24N2O3
IUPAC nameethyl 1-(3-benzoylquinolin-4-yl)piperidine-3-carboxylate
Molecular weight388.467
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.4
SynonymsMCULE-1471494022
SMR000309929
AKOS001867147
HMS2608H11
CHEMBL1509358
[ Show all ]
Inchi KeyAEALXMXNXIICRD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24N2O3/c1-2-29-24(28)18-11-8-14-26(16-18)22-19-12-6-7-13-21(19)25-15-20(22)23(27)17-9-4-3-5-10-17/h3-7,9-10,12-13,15,18H,2,8,11,14,16H2,1H3
PubChem CID6620095
ChEMBLCHEMBL1509358
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
Potency10000.0 nMPubChem BioAssay data setChEMBL

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