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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

NameSMR000095425
Molecular formulaC19H21N3O5S2
IUPAC name1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
Molecular weight435.513
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.5
SynonymsMLS000118484
AC1NSBZC
MLS002587739
CHEMBL1483223
HMS2255H14
[ Show all ]
Inchi KeyAFFBOOQKRVZPRX-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21N3O5S2/c1-21-16-7-6-15(10-17(16)27-19(21)24)29(25,26)22-8-2-4-13(12-22)18(23)20-11-14-5-3-9-28-14/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,20,23)
PubChem CID5307170
ChEMBLCHEMBL1483223
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
Potency1258.9 nMPubChem BioAssay data setChEMBL

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