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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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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

Nameethyl 2-(methylsulfanyl)-4-{3-[(phenylsulfonyl)amino]phenoxy}-5-pyrimidinecarboxylate
Molecular formulaC20H19N3O5S2
IUPAC nameethyl 4-[3-(benzenesulfonamido)phenoxy]-2-methylsulfanylpyrimidine-5-carboxylate
Molecular weight445.508
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.7
SynonymsAKOS005098918
MCULE-3808760577
SMR000168847
6R-1171
HMS2383B03
[ Show all ]
Inchi KeyAAOCSIJBSWKPFU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19N3O5S2/c1-3-27-19(24)17-13-21-20(29-2)22-18(17)28-15-9-7-8-14(12-15)23-30(25,26)16-10-5-4-6-11-16/h4-13,23H,3H2,1-2H3
PubChem CID1481618
ChEMBLCHEMBL1343347
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
Potency3981.1 nMPubChem BioAssay data setChEMBL

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