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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

NameMLS000582311
Molecular formulaC28H26N2O3S
IUPAC name3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide
Molecular weight470.587
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.0
SynonymsAPI0008524
MFCD06623281
NCGC00485111-01
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide
CHEMBL1427860
[ Show all ]
Inchi KeyBWWPVIRXNOWQSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H26N2O3S/c1-19-13-14-20(2)26(17-19)30-34(32,33)27-18-23(16-15-21(27)3)28(31)29-25-12-8-7-11-24(25)22-9-5-4-6-10-22/h4-18,30H,1-3H3,(H,29,31)
PubChem CID2223246
ChEMBLCHEMBL1427860
IUPHARN/A
BindingDB42524
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Potency2511.9 nMPubChem BioAssay data setChEMBL

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