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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

NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide
Molecular formulaC20H17N5OS2
IUPAC nameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Molecular weight407.51
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsAM-879/42240724
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
HMS2378N20
STL358527
AC1M2W8G
[ Show all ]
Inchi KeyADAMSUNAJBIMOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H17N5OS2/c1-14-7-9-15(10-8-14)17-11-27-20(22-17)23-18(26)12-28-19-21-13-25(24-19)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,22,23,26)
PubChem CID2202285
ChEMBLCHEMBL1321699
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
Potency631.0 nMPubChem BioAssay data setChEMBL

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