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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

NameSMR000127857
Molecular formulaC21H18N2O2
IUPAC name4-methyl-N-[(4-methylphenyl)methyl]furo[3,2-c]quinoline-2-carboxamide
Molecular weight330.387
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
SynonymsAC1O7SVM
ChemDiv2_006725
MLS000522590
CHEMBL1301232
CHEBI:123420
[ Show all ]
Inchi KeyAASCFXUFOVMIDS-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18N2O2/c1-13-7-9-15(10-8-13)12-22-21(24)19-11-17-14(2)23-18-6-4-3-5-16(18)20(17)25-19/h3-11H,12H2,1-2H3,(H,22,24)
PubChem CID6619633
ChEMBLCHEMBL1301232
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
Potency15848.9 nMPubChem BioAssay data setChEMBL

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