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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

Name2-chloro-3-[(2-piperidinoethyl)amino]naphthoquinone
Molecular formulaC17H19ClN2O2
IUPAC name2-chloro-3-(2-piperidin-1-ylethylamino)naphthalene-1,4-dione
Molecular weight318.801
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
Synonyms135127-51-4
AC1NF8AS
CHEMBL1541973
MolPort-002-886-622
HMS2620E19
[ Show all ]
Inchi KeyAEEMKLGKYAOKOA-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19ClN2O2/c18-14-15(19-8-11-20-9-4-1-5-10-20)17(22)13-7-3-2-6-12(13)16(14)21/h2-3,6-7,19H,1,4-5,8-11H2
PubChem CID4679493
ChEMBLCHEMBL1541973
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
Potency25118.9 nMPubChem BioAssay data setChEMBL

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