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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

NameSMR000201550
Molecular formulaC24H26N2O3S2
IUPAC name4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
Molecular weight454.603
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.0
Synonyms4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-{2-[(4-methylphenyl)sulfanyl]ethyl}benzamide
4-methyl-3-{[(3-methylphenyl)amino]sulfonyl}-N-{2-[(4-methylphenyl)thio]ethyl}benzamide
AC1MG7GI
AKOS000378074
[ Show all ]
Inchi KeyADGNKYCYINZIDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N2O3S2/c1-17-7-11-22(12-8-17)30-14-13-25-24(27)20-10-9-19(3)23(16-20)31(28,29)26-21-6-4-5-18(2)15-21/h4-12,15-16,26H,13-14H2,1-3H3,(H,25,27)
PubChem CID2981744
ChEMBLCHEMBL1563851
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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