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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

NameSMR000124404
Molecular formulaC20H24N4O6S2
IUPAC nameN,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide
Molecular weight480.554
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP1.9
SynonymsN,N-Dimethyl-4-{3-[3-(5-methyl-furan-2-yl)-[1,2,4]oxadiazol-5-yl]-piperidine-1-sulfonyl}-benzenesulfonamide
AC1MLRHN
MLS000123859
MLS002539303
CHEMBL1387104
[ Show all ]
Inchi KeyADOYZNXTCFFSDX-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24N4O6S2/c1-14-6-11-18(29-14)19-21-20(30-22-19)15-5-4-12-24(13-15)32(27,28)17-9-7-16(8-10-17)31(25,26)23(2)3/h6-11,15H,4-5,12-13H2,1-3H3
PubChem CID3226283
ChEMBLCHEMBL1387104
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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