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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

NameMLS000556811
Molecular formulaC25H34N2O3
IUPAC name5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)-3-methylfuran-2-carboxamide
Molecular weight410.558
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.8
SynonymsSMR000173544
5-tert-Butyl-3-methyl-furan-2-carboxylic acid cyclopentylcarbamoylmethyl-(2,6-dimethyl-phenyl)-amide
5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)-3-methylfuran-2-carboxamide
AC1LRXHG
CHEMBL1458360
[ Show all ]
Inchi KeyADFOFBMTHOLHHF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H34N2O3/c1-16-10-9-11-17(2)22(16)27(15-21(28)26-19-12-7-8-13-19)24(29)23-18(3)14-20(30-23)25(4,5)6/h9-11,14,19H,7-8,12-13,15H2,1-6H3,(H,26,28)
PubChem CID1454983
ChEMBLCHEMBL1458360
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Potency12589.3 nMPubChem BioAssay data setChEMBL

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