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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-[(2,4-dichlorobenzyl)sulfanyl]-N-methyl-6-[(methylsulfanyl)methyl]-4-pyrimidinamine
Molecular formulaC14H15Cl2N3S2
IUPAC name2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-6-(methylsulfanylmethyl)pyrimidin-4-amine
Molecular weight360.315
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
Synonyms341965-70-6
AC1LRPQN
Bionet1_002652
MLS000326273
CHEMBL1490458
[ Show all ]
Inchi KeyADANYFWPHVSRKE-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H15Cl2N3S2/c1-17-13-6-11(8-20-2)18-14(19-13)21-7-9-3-4-10(15)5-12(9)16/h3-6H,7-8H2,1-2H3,(H,17,18,19)
PubChem CID1475538
ChEMBLCHEMBL1490458
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
Potency31622.8 nMPubChem BioAssay data setChEMBL

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