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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

NameSMR000123112
Molecular formulaC21H23FN2O5S
IUPAC nameN-(1,3-benzodioxol-5-yl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
Molecular weight434.482
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.7
SynonymsN-Benzo[1,3]dioxol-5-yl-2-[cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetamide
Cambridge id 6877568
Oprea1_667292
MLS000035497
MLS002535273
[ Show all ]
Inchi KeyAAPVACTYYPFYGN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23FN2O5S/c22-15-6-9-18(10-7-15)30(26,27)24(17-4-2-1-3-5-17)13-21(25)23-16-8-11-19-20(12-16)29-14-28-19/h6-12,17H,1-5,13-14H2,(H,23,25)
PubChem CID1167454
ChEMBLCHEMBL1544955
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
Potency12589.3 nMPubChem BioAssay data setChEMBL

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